| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 84.2 | Confident | 235 Ų | 235 | 95.1 Ų | 95.1 | 100% | 1.158 | 48% | 0.482 | S | S | * | . | 0 | 117.3 | 0 | -87.6 | 173.6 | 176.9 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | Y | 52.6 | Low | 85.4 | Confident | 139 Ų | 139 | 87.8 Ų | 87.8 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | trans | -65 | 114 | 161.2 | -78.7 | -92.8 | 0 | 0 | 0 | 106 | N4 I248 | Y2-N4 PolarHBondContact O-N 2.77Å; Y2-I248 HydrophobicContact CE1-CD1 3.64Å; Y2-I248 WeakPolarHBondContact OH-CA 2.83Å; Y2-I248 WeakPolarHBondContact OH-CB 3.35Å; Y2-I248 WeakPolarHBondContact OH-CD1 3.41Å; Y2-I248 WeakPolarHBondContact OH-CG1 3.46Å | ||
| 3 | S | 64.1 | Low | 86.4 | Confident | 43 Ų | 43 | 81 Ų | 81 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | trans | -54.2 | 128.7 | 173.3 | -37.1 | 0 | 0 | 0 | 0 | 107.3 | M1 F5 | M1-S3 PolarHBondContact O-N 2.91Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-F5 WeakPolarHBondContact O-CD2 3.32Å; S3-F5 PolarHBondContact O-N 3.14Å | ||
| 4 | N | 86.5 | Confident | 87.3 | Confident | 155 Ų | 155 | 77.1 Ų | 77.1 | 83% | 0.829 | 39% | 0.391 | S | S | * | . | trans | -68.6 | 77.8 | 171.8 | -92.1 | -11.8 | 0 | 0 | 0 | 108.3 | Y2 | Y2-N4 PolarHBondContact O-N 2.77Š| ||
| 5 | F | 96.1 | Very high | 88 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 18% | 0.18 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 150 | 174 | -69.1 | -63.1 | 0 | 0 | 0 | 109.8 | S3 T7 T133 R136 Y137 S203 | S3-F5 WeakPolarHBondContact O-CD2 3.32Å; S3-F5 PolarHBondContact O-N 3.14Å; F5-T7 PolarHBondContact O-N 3.15Å; F5-T133 HydrophobicContact CE1-CG2 4.17Å; F5-T133 HydrophobicContact CZ-CG2 4.42Å; F5-R136 HydrophobicContact CB-CG 4.08Å; F5-R136 HydrophobicContact CD1-CB 3.91Å; F5-R136 HydrophobicContact CD1-CG 3.32Å; F5-R136 HydrophobicContact CD2-CG 4.21Å; F5-R136 HydrophobicContact CE1-CB 3.83Å; F5-R136 HydrophobicContact CE1-CG 3.67Å; F5-R136 HydrophobicContact CE2-CG 4.49Å; F5-R136 HydrophobicContact CG-CG 3.61Å; F5-R136 HydrophobicContact CZ-CB 4.49Å; F5-R136 HydrophobicContact CZ-CG 4.25Å; F5-Y137 HydrophobicContact CD1-CD1 4.31Å; F5-Y137 HydrophobicContact CD1-CD2 4.11Å; F5-Y137 HydrophobicContact CD1-CE1 4.06Å; F5-Y137 AromaticContact CD1-CE2 3.85Å; F5-Y137 HydrophobicContact CD1-CE2 3.85Å; F5-Y137 HydrophobicContact CD1-CG 4.32Å; F5-Y137 AromaticContact CD1-CZ 3.82Å; F5-Y137 AromaticContact CE1-CD2 3.91Å; F5-Y137 HydrophobicContact CE1-CD2 3.91Å; F5-Y137 AromaticContact CE1-CE2 3.6Å; F5-Y137 HydrophobicContact CE1-CE2 3.6Å; F5-Y137 AromaticContact CE1-CZ 4Å; F5-S203 WeakPolarHBondContact CZ-O 3.49Å |
| 6 | P | 97.2 | Very high | 88.6 | Confident | 28 Ų | 28 | 71 Ų | 71 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 138.9 | 174.4 | -27.1 | 36.3 | 0 | 0 | 0 | 112.3 | L8 Y137 | P6-L8 PolarHBondContact O-N 3.31Å; P6-Y137 HydrophobicContact CG-CD1 4.28Å |
| 7 | T | 96.5 | Very high | 89.2 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 133.4 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | F5 G141 | F5-T7 PolarHBondContact O-N 3.15Å; T7-G141 WeakPolarHBondContact O-CA 3.32Å |
| 8 | L | 97.5 | Very high | 89.7 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 134.7 | -179.6 | -172.3 | 70.8 | 0 | 0 | 0 | 110.9 | P6 N10 D11 I14 G141 V143 P144 | P6-L8 PolarHBondContact O-N 3.31Å; L8-N10 WeakPolarHBondContact CD1-O 3.39Å; L8-N10 WeakPolarHBondContact CG-O 3.24Å; L8-D11 HydrophobicContact CD2-CB 3.5Å; L8-D11 HydrophobicContact CG-CB 4.32Å; L8-I14 HydrophobicContact CD2-CD1 3.75Å; L8-G141 CarbonylContact C-O 3.57Å; L8-G141 WeakPolarHBondContact CA-O 3.47Å; L8-V143 VanDerWaalsContact CD1-C 3.49Å; L8-P144 HydrophobicContact CD1-CG 3.84Å; L8-P144 HydrophobicContact CD2-CG 3.82Å; L8-P144 HydrophobicContact CG-CG 4.44Å |
| 9 | K | 98.1 | Very high | 90.1 | Very high | 151 Ų | 151 | 64.8 Ų | 64.8 | 66% | 0.657 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -101.6 | -40.8 | -177.3 | -60.5 | 177.7 | -176.3 | 175.4 | 0 | 112.3 | G141 | K9-G141 WeakPolarHBondContact CB-O 3.31Å; K9-G141 PolarHBondContact N-O 3.47Å |
| 10 | N | 97.9 | Very high | 90.4 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | trans | -113.7 | 116 | 171.7 | 178.3 | 5 | 0 | 0 | 0 | 109.1 | L8 N12 D73 R142 V143 P144 | L8-N10 WeakPolarHBondContact CD1-O 3.39Å; L8-N10 WeakPolarHBondContact CG-O 3.24Å; N10-N12 WeakPolarHBondContact OD1-CB 3.36Å; N10-N12 PolarHBondContact OD1-N 2.79Å; N10-N12 VanDerWaalsContact OD1-N 3.12Å; N10-N12 PolarHBondContact OD1-ND2 3.16Å; N10-D73 PolarHBondContact ND2-OD1 3.44Å; N10-R142 VanDerWaalsContact CB-O 3.32Å; N10-R142 WeakPolarHBondContact CB-O 3.46Å; N10-R142 PolarHBondContact N-O 3.34Å; N10-V143 HydrophobicContact CB-CG1 4.32Å; N10-P144 WeakPolarHBondContact O-CD 3.39Å | ||
| 11 | D | 97.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 35% | 0.351 | S | S | . | . | trans | -117.1 | 9.9 | -179.7 | 73.5 | -11.5 | 0 | 0 | 0 | 113.6 | L8 I13 I14 R15 | L8-D11 HydrophobicContact CD2-CB 3.5Å; L8-D11 HydrophobicContact CG-CB 4.32Å; D11-I13 PolarHBondContact O-N 2.92Å; D11-I13 VanDerWaalsContact O-N 3.11Å; D11-I14 PolarHBondContact O-N 3.32Å; D11-R15 PolarHBondContact O-N 3.28Å; D11-R15 WeakPolarHBondContact OD1-CD 3.49Å; D11-R15 IonicContact OD1-CZ 3.83Å; D11-R15 IonicContact OD1-NE 3.16Å; D11-R15 PolarHBondContact OD1-NE 3.49Å; D11-R15 IonicContact OD1-NH2 2.87Å; D11-R15 IonicContact OD2-NE 3.69Å | ||
| 12 | N | 97.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.8 | -41.1 | -174 | -77.5 | -51.5 | 0 | 0 | 0 | 112.2 | N10 R15 A16 V22 S23 P26 | N10-N12 WeakPolarHBondContact OD1-CB 3.36Å; N10-N12 PolarHBondContact OD1-N 2.79Å; N10-N12 VanDerWaalsContact OD1-N 3.12Å; N10-N12 PolarHBondContact OD1-ND2 3.16Å; N12-R15 PolarHBondContact O-N 2.85Å; N12-R15 PolarHBondContact OD1-NH2 2.75Å; N12-A16 VanDerWaalsContact O-CB 3.32Å; N12-A16 WeakPolarHBondContact O-CB 3.48Å; N12-A16 PolarHBondContact O-N 2.93Å; N12-V22 HydrophobicContact CB-CG1 4.42Å; N12-V22 VanDerWaalsContact O-CG1 3.32Å; N12-V22 WeakPolarHBondContact O-CG1 3.4Å; N12-S23 PolarHBondContact ND2-OG 3.26Å; N12-S23 VanDerWaalsContact ND2-OG 3.15Å; N12-S23 PolarHBondContact OD1-N 2.92Å; N12-S23 PolarHBondContact OD1-OG 3.1Å; N12-P26 HydrophobicContact CB-CB 4.06Å |
| 13 | I | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 179.6 | -164.3 | 174.7 | 0 | 0 | 0 | 113.2 | D11 A17 P26 W28 D73 A74 P144 I146 L207 I332 | D11-I13 PolarHBondContact O-N 2.92Å; D11-I13 VanDerWaalsContact O-N 3.11Å; I13-A17 VanDerWaalsContact O-CB 3.27Å; I13-A17 WeakPolarHBondContact O-CB 3.44Å; I13-A17 PolarHBondContact O-N 3.48Å; I13-P26 HydrophobicContact CB-CB 3.76Å; I13-P26 HydrophobicContact CB-CG 4.25Å; I13-P26 HydrophobicContact CG1-CB 4.22Å; I13-P26 HydrophobicContact CG1-CG 4.44Å; I13-W28 VanDerWaalsContact CD1-CD1 3.47Å; I13-W28 HydrophobicContact CD1-CG 4.21Å; I13-D73 WeakPolarHBondContact CG2-O 3.24Å; I13-A74 HydrophobicContact CD1-CB 3.57Å; I13-A74 HydrophobicContact CG2-CB 4.22Å; I13-P144 HydrophobicContact CG2-CB 4.11Å; I13-P144 HydrophobicContact CG2-CG 3.59Å; I13-I146 HydrophobicContact CD1-CD1 4.32Å; I13-L207 HydrophobicContact CD1-CD2 4.38Å; I13-L207 HydrophobicContact CG1-CD2 4.17Å; I13-L207 HydrophobicContact CG2-CD1 4.08Å; I13-I332 HydrophobicContact CD1-CG2 3.99Å; I13-I332 HydrophobicContact CG1-CD1 3.85Å; I13-I332 HydrophobicContact CG1-CG1 4.21Å; I13-I332 HydrophobicContact CG1-CG2 3.98Å |
| 14 | I | 98.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 176.4 | -65.4 | 174.3 | 0 | 0 | 0 | 109.2 | L8 D11 A17 K18 P144 Q206 L207 P255 | L8-I14 HydrophobicContact CD2-CD1 3.75Å; D11-I14 PolarHBondContact O-N 3.32Å; I14-A17 PolarHBondContact O-N 2.87Å; I14-K18 HydrophobicContact CG2-CD 4.19Å; I14-K18 WeakPolarHBondContact O-CG 3.35Å; I14-K18 PolarHBondContact O-N 3.19Å; I14-P144 HydrophobicContact CD1-CB 4.06Å; I14-P144 HydrophobicContact CD1-CG 3.81Å; I14-P144 HydrophobicContact CG1-CB 4.24Å; I14-P144 HydrophobicContact CG1-CG 3.94Å; I14-Q206 HydrophobicContact CD1-CB 4.14Å; I14-L207 HydrophobicContact CD1-CD1 4.48Å; I14-L207 HydrophobicContact CG1-CD1 3.78Å; I14-L207 HydrophobicContact CG1-CG 4.32Å; I14-P255 HydrophobicContact CG2-CG 4.29Å |
| 15 | R | 98 | Very high | 97.2 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.4 | -66.8 | -164.8 | -65.8 | 146.8 | -5.8 | 111.4 | D11 N12 A17 K18 G19 E20 A21 V22 | D11-R15 PolarHBondContact O-N 3.28Å; D11-R15 WeakPolarHBondContact OD1-CD 3.49Å; D11-R15 IonicContact OD1-CZ 3.83Å; D11-R15 IonicContact OD1-NE 3.16Å; D11-R15 PolarHBondContact OD1-NE 3.49Å; D11-R15 IonicContact OD1-NH2 2.87Å; D11-R15 IonicContact OD2-NE 3.69Å; N12-R15 PolarHBondContact O-N 2.85Å; N12-R15 PolarHBondContact OD1-NH2 2.75Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.35Å; R15-K18 CarbonylContact O-C 3.42Å; R15-K18 PolarHBondContact O-N 3.5Å; R15-G19 PolarHBondContact O-N 2.64Å; R15-E20 HydrophobicContact CB-CB 3.98Å; R15-E20 WeakPolarHBondContact CG-OE2 3.24Å; R15-E20 WeakPolarHBondContact O-CB 3.38Å; R15-E20 PolarHBondContact O-N 2.84Å; R15-A21 VanDerWaalsContact CZ-O 3.28Å; R15-A21 PolarHBondContact NH1-O 3.15Å; R15-V22 HydrophobicContact CB-CG1 4.01Å |
| 16 | A | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N12 K18 G19 V22 P26 T298 I332 | N12-A16 VanDerWaalsContact O-CB 3.32Å; N12-A16 WeakPolarHBondContact O-CB 3.48Å; N12-A16 PolarHBondContact O-N 2.93Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.39Å; A16-G19 PolarHBondContact O-N 3.26Å; A16-V22 HydrophobicContact CB-CG1 3.93Å; A16-P26 HydrophobicContact CB-CG 3.56Å; A16-T298 WeakPolarHBondContact O-CB 3.4Å; A16-T298 WeakPolarHBondContact O-CG2 3.35Å; A16-T298 PolarHBondContact O-OG1 2.67Å; A16-I332 HydrophobicContact CB-CD1 4.41Å; A16-I332 HydrophobicContact CB-CG1 3.73Å |
| 17 | A | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I13 I14 R15 G19 L207 P255 V277 T298 I332 | I13-A17 VanDerWaalsContact O-CB 3.27Å; I13-A17 WeakPolarHBondContact O-CB 3.44Å; I13-A17 PolarHBondContact O-N 3.48Å; I14-A17 PolarHBondContact O-N 2.87Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.35Å; A17-G19 VanDerWaalsContact C-N 3.25Å; A17-G19 PolarHBondContact O-N 3.13Å; A17-L207 HydrophobicContact CB-CD2 4.27Å; A17-P255 HydrophobicContact CB-CB 3.57Å; A17-P255 HydrophobicContact CB-CG 3.78Å; A17-V277 HydrophobicContact CB-CG2 3.65Å; A17-T298 PolarHBondContact O-OG1 2.91Å; A17-I332 HydrophobicContact CB-CD1 4.01Å |
| 18 | K | 97.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -75.8 | -11.2 | 174.8 | -67.2 | 179.6 | 175.2 | -172.7 | 0 | 113.7 | I14 R15 A16 E20 D251 P255 | I14-K18 HydrophobicContact CG2-CD 4.19Å; I14-K18 WeakPolarHBondContact O-CG 3.35Å; I14-K18 PolarHBondContact O-N 3.19Å; R15-K18 CarbonylContact O-C 3.42Å; R15-K18 PolarHBondContact O-N 3.5Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.39Å; K18-E20 HydrophobicContact CB-CG 4.09Å; K18-E20 VanDerWaalsContact CD-OE1 3.27Å; K18-E20 WeakPolarHBondContact CD-OE1 3.28Å; K18-D251 PolarHBondContact NZ-O 3.48Å; K18-P255 HydrophobicContact CG-CG 4.2Å |
| 19 | G | 97.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 22.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R15 A16 A17 | R15-G19 PolarHBondContact O-N 2.64Å; A16-G19 PolarHBondContact O-N 3.26Å; A17-G19 VanDerWaalsContact C-N 3.25Å; A17-G19 PolarHBondContact O-N 3.13Å |
| 20 | E | 96.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 28.7 Ų | 28.7 | 45% | 0.453 | 16% | 0.163 | S | C | . | . | trans | -79.7 | 164.1 | 172.5 | -62.3 | 165.8 | -160.3 | 0 | 0 | 110.4 | R15 K18 | R15-E20 HydrophobicContact CB-CB 3.98Å; R15-E20 WeakPolarHBondContact CG-OE2 3.24Å; R15-E20 WeakPolarHBondContact O-CB 3.38Å; R15-E20 PolarHBondContact O-N 2.84Å; K18-E20 HydrophobicContact CB-CG 4.09Å; K18-E20 VanDerWaalsContact CD-OE1 3.27Å; K18-E20 WeakPolarHBondContact CD-OE1 3.28Å | ||
| 21 | A | 94.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 34 Ų | 34 | 65% | 0.645 | 18% | 0.181 | S | C | * | . | trans | -61.9 | 149.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R15 | R15-A21 VanDerWaalsContact CZ-O 3.28Å; R15-A21 PolarHBondContact NH1-O 3.15Å | ||
| 22 | V | 96.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | trans | -127.3 | 157.7 | 177.2 | -66 | 0 | 0 | 0 | 0 | 111.1 | N12 R15 A16 R24 | N12-V22 HydrophobicContact CB-CG1 4.42Å; N12-V22 VanDerWaalsContact O-CG1 3.32Å; N12-V22 WeakPolarHBondContact O-CG1 3.4Å; R15-V22 HydrophobicContact CB-CG1 4.01Å; A16-V22 HydrophobicContact CB-CG1 3.93Å; V22-R24 WeakPolarHBondContact CB-O 3.26Å; V22-R24 VanDerWaalsContact CG2-O 3.23Å; V22-R24 WeakPolarHBondContact CG2-O 3.38Å | ||
| 23 | S | 93.9 | Very high | 97.7 | Very high | 79 Ų | 79 | 31.2 Ų | 31.2 | 55% | 0.552 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -83.2 | -23.7 | 177.2 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | N12 L363 | N12-S23 PolarHBondContact ND2-OG 3.26Å; N12-S23 VanDerWaalsContact ND2-OG 3.15Å; N12-S23 PolarHBondContact OD1-N 2.92Å; N12-S23 PolarHBondContact OD1-OG 3.1Å; S23-L363 WeakPolarHBondContact O-CD1 3.42Å |
| 24 | R | 95.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 19% | 0.189 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -156.3 | 159.9 | 172.1 | 64.7 | -176.8 | -174.2 | -172.9 | 0.2 | 107.8 | V22 P26 D71 D73 H356 | V22-R24 WeakPolarHBondContact CB-O 3.26Å; V22-R24 VanDerWaalsContact CG2-O 3.23Å; V22-R24 WeakPolarHBondContact CG2-O 3.38Å; R24-P26 WeakPolarHBondContact O-CD 3.37Å; R24-D71 IonicContact CZ-OD2 3.85Å; R24-D71 VanDerWaalsContact CZ-OD2 3.27Å; R24-D71 IonicContact NH1-OD2 2.79Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å; R24-D71 VanDerWaalsContact NH2-CG 3.33Å; R24-D71 IonicContact NH2-OD1 2.91Å; R24-D71 PolarHBondContact NH2-OD1 3.48Å; R24-D71 VanDerWaalsContact NH2-OD1 3.08Å; R24-D71 IonicContact NH2-OD2 3.79Å; R24-D71 PolarHBondContact NH2-OD2 3.15Å; R24-D73 IonicContact CZ-OD1 3.52Å; R24-D73 IonicContact NE-OD1 3.78Å; R24-D73 PolarHBondContact NE-OD1 3.33Å; R24-D73 VanDerWaalsContact NE-OD1 3.16Å; R24-D73 IonicContact NH2-OD1 3.16Å; R24-D73 PolarHBondContact NH2-OD1 3.42Å; R24-H356 PolarHBondContact NE-NE2 3.2Å; R24-H356 PolarHBondContact NH1-CE1 3.1Å; R24-H356 VanDerWaalsContact NH1-CE1 3.29Å; R24-H356 PolarHBondContact NH1-ND1 3.45Å; R24-H356 VanDerWaalsContact NH1-ND1 3.14Å; R24-H356 PolarHBondContact NH2-CE1 3.22Å; R24-H356 VanDerWaalsContact NH2-CE1 3.29Å |
| 25 | L | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -64.6 | 125.4 | 172.3 | -79.2 | 177.2 | 0 | 0 | 0 | 109.3 | I323 I328 Y331 V333 V355 S359 | L25-I323 HydrophobicContact CD1-CD1 4.4Å; L25-I323 HydrophobicContact CD1-CG1 4.19Å; L25-I323 HydrophobicContact CD1-CG2 3.89Å; L25-I328 HydrophobicContact CD1-CG2 4.46Å; L25-Y331 HydrophobicContact CD1-CD1 3.65Å; L25-Y331 HydrophobicContact CD1-CE1 3.93Å; L25-Y331 HydrophobicContact CD2-CD1 3.82Å; L25-Y331 HydrophobicContact CD2-CG 4.32Å; L25-Y331 HydrophobicContact CG-CD1 4.39Å; L25-V333 HydrophobicContact CB-CG2 4.1Å; L25-V333 HydrophobicContact CD1-CG2 4.09Å; L25-V355 HydrophobicContact CB-CG1 4.2Å; L25-S359 PolarHBondContact N-OG 3.03Å | ||
| 26 | P | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -73.4 | 138.5 | 176.6 | 28.3 | -31.4 | 0 | 0 | 0 | 110.5 | N12 I13 A16 R24 D73 I332 V333 | N12-P26 HydrophobicContact CB-CB 4.06Å; I13-P26 HydrophobicContact CB-CB 3.76Å; I13-P26 HydrophobicContact CB-CG 4.25Å; I13-P26 HydrophobicContact CG1-CB 4.22Å; I13-P26 HydrophobicContact CG1-CG 4.44Å; A16-P26 HydrophobicContact CB-CG 3.56Å; R24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-D73 VanDerWaalsContact CA-OD2 3.3Å; P26-D73 WeakPolarHBondContact CA-OD2 3.4Å; P26-D73 HydrophobicContact CB-CB 3.79Å; P26-I332 HydrophobicContact CG-CG1 4.12Å; P26-I332 HydrophobicContact CG-CG2 4.45Å; P26-V333 PolarHBondContact O-N 3.31Å | ||
| 27 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -126.8 | 135.9 | 176.2 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | D73 V333 F351 V352 V355 | V27-D73 PolarHBondContact N-OD2 2.89Å; V27-D73 PolarHBondContact O-N 3.03Å; V27-V333 WeakPolarHBondContact CA-O 3.43Å; V27-V333 HydrophobicContact CB-CB 4.03Å; V27-V333 HydrophobicContact CB-CG1 4.4Å; V27-V333 HydrophobicContact CG2-CB 4.03Å; V27-V333 HydrophobicContact CG2-CG1 3.9Å; V27-F351 HydrophobicContact CG2-CD1 4.4Å; V27-F351 HydrophobicContact CG2-CE1 3.63Å; V27-F351 HydrophobicContact CG2-CZ 4.11Å; V27-V352 HydrophobicContact CG1-CB 4.38Å; V27-V352 HydrophobicContact CG1-CG1 3.88Å; V27-V352 HydrophobicContact CG1-CG2 4.31Å; V27-V355 HydrophobicContact CB-CB 4.44Å; V27-V355 HydrophobicContact CB-CG1 3.98Å; V27-V355 HydrophobicContact CG1-CB 4.48Å; V27-V355 HydrophobicContact CG1-CG1 4.29Å; V27-V355 HydrophobicContact CG2-CG2 4.49Å |
| 28 | W | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -144.7 | 168.1 | 165.7 | 74.6 | -74.6 | 0 | 0 | 0 | 109.5 | I13 M30 A74 I76 I146 V333 N334 | I13-W28 VanDerWaalsContact CD1-CD1 3.47Å; I13-W28 HydrophobicContact CD1-CG 4.21Å; W28-M30 HydrophobicContact CH2-CG 4.03Å; W28-M30 HydrophobicContact CZ3-CG 4.23Å; W28-A74 HydrophobicContact CB-CB 3.99Å; W28-A74 HydrophobicContact CG-CB 4.25Å; W28-I76 HydrophobicContact CE3-CB 4.41Å; W28-I76 HydrophobicContact CE3-CG2 4.29Å; W28-I76 HydrophobicContact CH2-CD1 3.87Å; W28-I76 HydrophobicContact CZ3-CB 3.99Å; W28-I76 HydrophobicContact CZ3-CD1 3.72Å; W28-I76 HydrophobicContact CZ3-CG1 4.46Å; W28-I76 HydrophobicContact CZ3-CG2 3.94Å; W28-I146 HydrophobicContact CD2-CD1 3.63Å; W28-I146 HydrophobicContact CE3-CD1 3.92Å; W28-I146 HydrophobicContact CG-CD1 4.17Å; W28-I146 HydrophobicContact CH2-CD1 4.04Å; W28-I146 HydrophobicContact CZ2-CD1 3.75Å; W28-I146 HydrophobicContact CZ3-CD1 4.12Å; W28-V333 PolarHBondContact N-O 3.28Å; W28-N334 VanDerWaalsContact CD2-ND2 3.26Å; W28-N334 VanDerWaalsContact CZ2-ND2 3.29Å; W28-N334 WeakPolarHBondContact CZ2-ND2 3.36Å; W28-N334 PolarHBondContact NE1-ND2 3.49Å; W28-N334 WeakPolarHBondContact O-CA 3.39Å; W28-N334 PolarHBondContact O-ND2 3.36Å; W28-N334 PolarHBondContact O-OD1 3.04Å | ||
| 29 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -127.8 | 126.6 | -173.3 | -63.1 | 171.2 | 0 | 0 | 0 | 110.6 | R31 Q32 L72 N334 L335 I339 V348 F351 V352 | I29-R31 PolarHBondContact O-N 2.83Å; I29-Q32 HydrophobicContact CB-CB 4.07Å; I29-Q32 VanDerWaalsContact N-OE1 3.16Å; I29-Q32 WeakPolarHBondContact O-CB 3.31Å; I29-Q32 WeakPolarHBondContact O-CG 3.37Å; I29-Q32 PolarHBondContact O-N 2.86Å; I29-Q32 PolarHBondContact O-OE1 3.32Å; I29-L72 HydrophobicContact CD1-CD2 4.28Å; I29-L72 HydrophobicContact CG1-CD2 4.2Å; I29-N334 WeakPolarHBondContact CA-OD1 3.28Å; I29-L335 HydrophobicContact CG1-CG 4.48Å; I29-L335 HydrophobicContact CG2-CD1 3.63Å; I29-L335 HydrophobicContact CG2-CG 4.02Å; I29-I339 HydrophobicContact CG2-CB 4.08Å; I29-I339 HydrophobicContact CG2-CG2 4.22Å; I29-V348 HydrophobicContact CD1-CG1 3.45Å; I29-V348 VanDerWaalsContact CD1-CG1 3.45Å; I29-F351 HydrophobicContact CD1-CD1 3.91Å; I29-F351 HydrophobicContact CD1-CE1 4.09Å; I29-F351 HydrophobicContact CG1-CD1 4.4Å; I29-F351 HydrophobicContact CG1-CE1 4.06Å; I29-V352 HydrophobicContact CD1-CG2 4.43Å | ||
| 30 | M | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130 | 168.6 | -77.4 | -173.7 | -85.1 | 0 | 0 | 110.3 | W28 Q32 F211 F259 N334 L335 G338 I339 | W28-M30 HydrophobicContact CH2-CG 4.03Å; W28-M30 HydrophobicContact CZ3-CG 4.23Å; M30-Q32 VanDerWaalsContact C-N 3.28Å; M30-Q32 PolarHBondContact O-N 2.86Å; M30-F211 HydrophobicContact CG-CE1 4.39Å; M30-F211 HydrophobicContact SD-CE1 3.9Å; M30-F259 HydrophobicContact CE-CE1 4.41Å; M30-F259 HydrophobicContact CE-CE2 4.31Å; M30-F259 HydrophobicContact CE-CZ 4.13Å; M30-F259 HydrophobicContact SD-CD1 4.12Å; M30-F259 HydrophobicContact SD-CE1 3.94Å; M30-F259 HydrophobicContact SD-CZ 4.27Å; M30-N334 PolarHBondContact N-OD1 2.85Å; M30-L335 WeakPolarHBondContact CE-O 3.31Å; M30-G338 VanDerWaalsContact O-CA 3.28Å; M30-G338 WeakPolarHBondContact O-CA 3.32Å; M30-I339 PolarHBondContact O-N 3.48Å |
| 31 | R | 98.2 | Very high | 97.4 | Very high | 135 Ų | 135 | 35.6 Ų | 35.6 | 51% | 0.509 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 28.1 | -171.7 | -54.2 | -177.6 | 177.3 | 175.8 | -3.8 | 114.5 | I29 A33 I339 | I29-R31 PolarHBondContact O-N 2.83Å; R31-A33 CarbonylContact O-C 3.58Å; R31-A33 PolarHBondContact O-N 2.83Å; R31-A33 VanDerWaalsContact O-N 3.13Å; R31-I339 HydrophobicContact CB-CG2 4.02Å; R31-I339 VanDerWaalsContact O-CG2 3.24Å; R31-I339 WeakPolarHBondContact O-CG2 3.4Å |
| 32 | Q | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -52.7 | -32.3 | 173.3 | 59.2 | -173 | 57.8 | 0 | 0 | 113.5 | I29 M30 Y36 P66 L72 A74 I76 | I29-Q32 HydrophobicContact CB-CB 4.07Å; I29-Q32 VanDerWaalsContact N-OE1 3.16Å; I29-Q32 WeakPolarHBondContact O-CB 3.31Å; I29-Q32 WeakPolarHBondContact O-CG 3.37Å; I29-Q32 PolarHBondContact O-N 2.86Å; I29-Q32 PolarHBondContact O-OE1 3.32Å; M30-Q32 VanDerWaalsContact C-N 3.28Å; M30-Q32 PolarHBondContact O-N 2.86Å; Q32-Y36 WeakPolarHBondContact O-CE1 3.49Å; Q32-Y36 PolarHBondContact O-OH 3.35Å; Q32-P66 HydrophobicContact CB-CB 3.91Å; Q32-P66 HydrophobicContact CB-CG 4.05Å; Q32-P66 HydrophobicContact CG-CB 4.2Å; Q32-P66 HydrophobicContact CG-CG 3.83Å; Q32-P66 WeakPolarHBondContact O-CB 3.27Å; Q32-L72 HydrophobicContact CB-CD1 4.24Å; Q32-A74 PolarHBondContact NE2-O 3.27Å; Q32-I76 HydrophobicContact CG-CG2 4.02Å |
| 33 | A | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -91.2 | 98.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R31 V62 P66 F78 | R31-A33 CarbonylContact O-C 3.58Å; R31-A33 PolarHBondContact O-N 2.83Å; R31-A33 VanDerWaalsContact O-N 3.13Å; A33-V62 HydrophobicContact CB-CG1 3.79Å; A33-V62 WeakPolarHBondContact CB-O 3.28Å; A33-P66 HydrophobicContact CB-CG 4.23Å; A33-F78 HydrophobicContact CB-CD2 4.23Å |
| 34 | G | 96.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -166.7 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y36 L37 F40 | G34-Y36 PolarHBondContact O-N 2.7Å; G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 3.27Å; G34-F40 VanDerWaalsContact C-CD1 3.4Å; G34-F40 VanDerWaalsContact C-CG 3.48Å; G34-F40 VanDerWaalsContact O-CB 3.26Å; G34-F40 WeakPolarHBondContact O-CB 3.34Å; G34-F40 WeakPolarHBondContact O-CG 3.17Å |
| 35 | R | 96.2 | Very high | 97.4 | Very high | 140 Ų | 140 | 42.4 Ų | 42.4 | 53% | 0.528 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12 | -169.1 | -70.1 | 171.9 | -76 | 178.8 | -2.4 | 116.2 | F40 R41 P341 | R35-F40 HydrophobicContact CB-CD1 4.45Å; R35-F40 HydrophobicContact CG-CD1 3.99Å; R35-F40 HydrophobicContact CG-CE1 3.69Å; R35-R41 VanDerWaalsContact O-CD 3.28Å; R35-R41 WeakPolarHBondContact O-CD 3.35Å; R35-R41 WeakPolarHBondContact O-CG 3.22Å; R35-R41 PolarHBondContact O-NH1 3.28Å; R35-P341 CarbonylContact C-O 3.39Å; R35-P341 HydrophobicContact CB-CB 3.74Å; R35-P341 HydrophobicContact CB-CG 4.28Å |
| 36 | Y | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -24.8 | 172.4 | 80.1 | -79.4 | 0 | 0 | 0 | 111.7 | Q32 G34 F70 I339 P341 V343 P345 V348 | Q32-Y36 WeakPolarHBondContact O-CE1 3.49Å; Q32-Y36 PolarHBondContact O-OH 3.35Å; G34-Y36 PolarHBondContact O-N 2.7Å; Y36-F70 HydrophobicContact CE2-CE2 4.06Å; Y36-F70 HydrophobicContact CE2-CZ 4.06Å; Y36-F70 WeakPolarHBondContact OH-CE2 3.3Å; Y36-I339 HydrophobicContact CD1-CD1 4.02Å; Y36-I339 HydrophobicContact CD1-CG1 4.36Å; Y36-I339 HydrophobicContact CD1-CG2 3.62Å; Y36-I339 HydrophobicContact CD2-CD1 3.84Å; Y36-I339 HydrophobicContact CE1-CD1 4.15Å; Y36-I339 HydrophobicContact CE1-CG2 3.66Å; Y36-I339 HydrophobicContact CE2-CD1 3.97Å; Y36-I339 HydrophobicContact CG-CD1 3.88Å; Y36-I339 HydrophobicContact CG-CG1 4.4Å; Y36-I339 HydrophobicContact CG-CG2 4.46Å; Y36-P341 VanDerWaalsContact CA-O 3.29Å; Y36-P341 WeakPolarHBondContact CA-O 3.32Å; Y36-V343 WeakPolarHBondContact CB-O 3.18Å; Y36-P345 HydrophobicContact CD2-CB 4.44Å; Y36-P345 HydrophobicContact CD2-CG 4.08Å; Y36-P345 WeakPolarHBondContact O-CG 3.45Å; Y36-V348 HydrophobicContact CD2-CG2 4.11Å; Y36-V348 HydrophobicContact CE2-CB 4.29Å; Y36-V348 HydrophobicContact CE2-CG1 4.43Å; Y36-V348 HydrophobicContact CE2-CG2 3.72Å |
| 37 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.2 | 125.9 | 175.1 | -63.1 | -179.5 | 0 | 0 | 0 | 111.6 | G34 E39 F40 R41 Q65 P66 F70 P345 | G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 3.27Å; L37-E39 VanDerWaalsContact C-N 3.35Å; L37-E39 PolarHBondContact O-N 3.1Å; L37-F40 HydrophobicContact CB-CB 3.83Å; L37-F40 WeakPolarHBondContact O-CB 3.14Å; L37-F40 PolarHBondContact O-N 2.93Å; L37-R41 PolarHBondContact O-N 3.13Å; L37-Q65 HydrophobicContact CD1-CB 4.05Å; L37-P66 HydrophobicContact CD1-CB 4.34Å; L37-F70 HydrophobicContact CD2-CE2 4.02Å; L37-F70 HydrophobicContact CD2-CZ 4.06Å; L37-P345 HydrophobicContact CD2-CB 4.42Å; L37-P345 HydrophobicContact CD2-CG 4.36Å |
| 38 | P | 97.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.5 | -44.9 | 174.2 | -26.8 | 34.5 | 0 | 0 | 0 | 113.8 | F40 R41 E42 | P38-F40 VanDerWaalsContact C-N 3.29Å; P38-F40 PolarHBondContact O-N 2.8Å; P38-R41 WeakPolarHBondContact O-CB 3.2Å; P38-R41 PolarHBondContact O-N 3.4Å; P38-R41 VanDerWaalsContact O-N 3.12Å; P38-E42 PolarHBondContact O-N 3.44Å |
| 39 | E | 97.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.2 | -24.2 | -179.8 | 67.9 | -85.6 | -155.8 | 0 | 0 | 113.2 | L37 L43 Q65 R69 | L37-E39 VanDerWaalsContact C-N 3.35Å; L37-E39 PolarHBondContact O-N 3.1Å; E39-L43 WeakPolarHBondContact O-CB 3.45Å; E39-L43 PolarHBondContact O-N 3.09Å; E39-Q65 HydrophobicContact CG-CB 4.07Å; E39-Q65 VanDerWaalsContact CG-CD 3.46Å; E39-Q65 HydrophobicContact CG-CG 3.68Å; E39-Q65 PolarHBondContact O-NE2 3.41Å; E39-Q65 VanDerWaalsContact O-NE2 3.15Å; E39-R69 VanDerWaalsContact CD-NE 3.28Å; E39-R69 WeakPolarHBondContact OE1-CD 3.48Å; E39-R69 IonicContact OE1-CZ 3.66Å; E39-R69 IonicContact OE1-NE 2.81Å; E39-R69 PolarHBondContact OE1-NE 3.2Å; E39-R69 IonicContact OE1-NH2 3.64Å; E39-R69 IonicContact OE2-CZ 3.78Å; E39-R69 IonicContact OE2-NE 3.79Å; E39-R69 PolarHBondContact OE2-NE 3.48Å; E39-R69 VanDerWaalsContact OE2-NE 3.17Å; E39-R69 IonicContact OE2-NH2 3.98Å; E39-R69 PolarHBondContact OE2-NH2 3.25Å |
| 40 | F | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 169.9 | -178.5 | -86.4 | 0 | 0 | 0 | 109.8 | G34 R35 L37 P38 L43 R44 V62 F78 | G34-F40 VanDerWaalsContact C-CD1 3.4Å; G34-F40 VanDerWaalsContact C-CG 3.48Å; G34-F40 VanDerWaalsContact O-CB 3.26Å; G34-F40 WeakPolarHBondContact O-CB 3.34Å; G34-F40 WeakPolarHBondContact O-CG 3.17Å; R35-F40 HydrophobicContact CB-CD1 4.45Å; R35-F40 HydrophobicContact CG-CD1 3.99Å; R35-F40 HydrophobicContact CG-CE1 3.69Å; L37-F40 HydrophobicContact CB-CB 3.83Å; L37-F40 WeakPolarHBondContact O-CB 3.14Å; L37-F40 PolarHBondContact O-N 2.93Å; P38-F40 VanDerWaalsContact C-N 3.29Å; P38-F40 PolarHBondContact O-N 2.8Å; F40-L43 PolarHBondContact O-N 2.96Å; F40-R44 HydrophobicContact CD1-CG 3.63Å; F40-R44 HydrophobicContact CE1-CG 3.28Å; F40-R44 HydrophobicContact CG-CG 4.43Å; F40-R44 HydrophobicContact CZ-CG 3.83Å; F40-R44 WeakPolarHBondContact O-CB 3.3Å; F40-R44 VanDerWaalsContact O-CG 3.24Å; F40-R44 WeakPolarHBondContact O-CG 3.31Å; F40-R44 PolarHBondContact O-N 3.47Å; F40-V62 HydrophobicContact CD2-CG1 3.68Å; F40-V62 HydrophobicContact CE2-CG1 3.53Å; F40-F78 HydrophobicContact CE2-CD2 4.21Å; F40-F78 AromaticContact CE2-CE2 3.53Å; F40-F78 HydrophobicContact CE2-CE2 3.53Å; F40-F78 HydrophobicContact CE2-CZ 4.05Å; F40-F78 AromaticContact CZ-CE2 3.82Å; F40-F78 HydrophobicContact CZ-CE2 3.82Å; F40-F78 HydrophobicContact CZ-CZ 4.08Å |
| 41 | R | 95.8 | Very high | 96 | Very high | 110 Ų | 110 | 61 Ų | 61 | 42% | 0.415 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 177.8 | -66.7 | -174.1 | -73.4 | -128.4 | 8.4 | 111.2 | R35 L37 P38 L43 R44 E45 | R35-R41 VanDerWaalsContact O-CD 3.28Å; R35-R41 WeakPolarHBondContact O-CD 3.35Å; R35-R41 WeakPolarHBondContact O-CG 3.22Å; R35-R41 PolarHBondContact O-NH1 3.28Å; L37-R41 PolarHBondContact O-N 3.13Å; P38-R41 WeakPolarHBondContact O-CB 3.2Å; P38-R41 PolarHBondContact O-N 3.4Å; P38-R41 VanDerWaalsContact O-N 3.12Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.98Å; R41-R44 PolarHBondContact O-N 3.26Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R41-E45 WeakPolarHBondContact O-CG 3.45Å; R41-E45 PolarHBondContact O-N 2.92Å |
| 42 | E | 97.1 | Very high | 95.9 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -39.4 | 177.6 | -164.2 | -159.9 | 147.7 | 0 | 0 | 112.2 | P38 K46 | P38-E42 PolarHBondContact O-N 3.44Å; E42-K46 IonicContact OE1-NZ 3.71Å; E42-K46 PolarHBondContact OE1-NZ 3.28Å |
| 43 | L | 96.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -40.6 | 176.4 | -167.8 | 151.7 | 0 | 0 | 0 | 111.7 | E39 F40 R41 E45 K46 H47 I52 V62 | E39-L43 WeakPolarHBondContact O-CB 3.45Å; E39-L43 PolarHBondContact O-N 3.09Å; F40-L43 PolarHBondContact O-N 2.96Å; R41-L43 VanDerWaalsContact C-N 3.27Å; R41-L43 PolarHBondContact O-N 2.98Å; L43-E45 PolarHBondContact O-N 3.33Å; L43-K46 PolarHBondContact O-N 3.17Å; L43-K46 VanDerWaalsContact O-N 3.13Å; L43-H47 PolarHBondContact O-N 3.33Å; L43-I52 HydrophobicContact CD2-CD1 3.45Å; L43-I52 VanDerWaalsContact CD2-CD1 3.45Å; L43-I52 HydrophobicContact CD2-CG1 3.72Å; L43-I52 HydrophobicContact CD2-CG2 4.45Å; L43-V62 HydrophobicContact CD1-CG2 3.8Å; L43-V62 HydrophobicContact CD2-CG2 3.76Å; L43-V62 HydrophobicContact CG-CG2 4.35Å |
| 44 | R | 93.5 | Very high | 95.7 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.5 | -20.5 | 177.2 | -73.3 | -69.1 | -59.5 | 111.9 | 12.3 | 114.2 | F40 R41 K46 H47 D48 F49 I52 | F40-R44 HydrophobicContact CD1-CG 3.63Å; F40-R44 HydrophobicContact CE1-CG 3.28Å; F40-R44 HydrophobicContact CG-CG 4.43Å; F40-R44 HydrophobicContact CZ-CG 3.83Å; F40-R44 WeakPolarHBondContact O-CB 3.3Å; F40-R44 VanDerWaalsContact O-CG 3.24Å; F40-R44 WeakPolarHBondContact O-CG 3.31Å; F40-R44 PolarHBondContact O-N 3.47Å; R41-R44 PolarHBondContact O-N 3.26Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R44-K46 VanDerWaalsContact C-N 3.3Å; R44-H47 PolarHBondContact NH1-O 2.87Å; R44-D48 PolarHBondContact NH1-O 2.99Å; R44-F49 VanDerWaalsContact NH1-CA 3.34Å; R44-I52 VanDerWaalsContact CD-CD1 3.43Å; R44-I52 HydrophobicContact CG-CD1 4.35Å |
| 45 | E | 93.9 | Very high | 95.8 | Very high | 162 Ų | 162 | 61.4 Ų | 61.4 | 76% | 0.757 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -72.1 | -27.3 | 173.1 | -75 | 171.6 | -173.3 | 0 | 0 | 112.1 | R41 L43 | R41-E45 WeakPolarHBondContact O-CG 3.45Å; R41-E45 PolarHBondContact O-N 2.92Å; L43-E45 PolarHBondContact O-N 3.33Å |
| 46 | K | 95.4 | Very high | 95.9 | Very high | 131 Ų | 131 | 55.5 Ų | 55.5 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -94.4 | -25.9 | -175.6 | -62.3 | 171.5 | -168.6 | 166.2 | 0 | 113.3 | E42 L43 R44 | E42-K46 IonicContact OE1-NZ 3.71Å; E42-K46 PolarHBondContact OE1-NZ 3.28Å; L43-K46 PolarHBondContact O-N 3.17Å; L43-K46 VanDerWaalsContact O-N 3.13Å; R44-K46 VanDerWaalsContact C-N 3.3Å |
| 47 | H | 94.9 | Very high | 96 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -133 | 147.1 | -174.1 | -60.5 | -75 | 0 | 0 | 0 | 111.3 | L43 R44 E51 I52 L58 | L43-H47 PolarHBondContact O-N 3.33Å; R44-H47 PolarHBondContact NH1-O 2.87Å; H47-E51 VanDerWaalsContact CA-OE2 3.24Å; H47-E51 WeakPolarHBondContact CA-OE2 3.47Å; H47-E51 HydrophobicContact CB-CG 4.48Å; H47-E51 WeakPolarHBondContact CB-OE2 3.46Å; H47-E51 IonicContact CE1-OE1 2.62Å; H47-E51 IonicContact CG-OE1 3.17Å; H47-E51 IonicContact CG-OE2 3.41Å; H47-E51 IonicContact ND1-OE1 3.65Å; H47-E51 PolarHBondContact ND1-OE1 3.32Å; H47-E51 IonicContact ND1-OE2 2.66Å; H47-I52 HydrophobicContact CB-CD1 4.08Å; H47-I52 HydrophobicContact CB-CG1 3.65Å; H47-L58 HydrophobicContact CB-CD1 4.25Å |
| 48 | D | 92.2 | Very high | 96 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | trans | -75.2 | 167.3 | 172.1 | 86.4 | 52.1 | 0 | 0 | 0 | 112.2 | R44 F50 E51 I52 | R44-D48 PolarHBondContact NH1-O 2.99Å; D48-F50 PolarHBondContact OD1-N 2.76Å; D48-E51 HydrophobicContact CB-CB 4.41Å; D48-E51 PolarHBondContact N-OE2 3.19Å; D48-E51 WeakPolarHBondContact OD1-CB 3.37Å; D48-E51 PolarHBondContact OD1-N 3.31Å; D48-I52 WeakPolarHBondContact O-CD1 3.5Å; D48-I52 VanDerWaalsContact O-CG1 3.27Å; D48-I52 WeakPolarHBondContact O-CG1 3.27Å; D48-I52 PolarHBondContact O-N 2.85Å; D48-I52 VanDerWaalsContact O-N 3.1Å | ||
| 49 | F | 92.6 | Very high | 96 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | -170.5 | 175.9 | -96.4 | 0 | 0 | 0 | 111.8 | R44 I52 C53 F78 D80 M94 | R44-F49 VanDerWaalsContact NH1-CA 3.34Å; F49-I52 PolarHBondContact O-N 3.49Å; F49-C53 PolarHBondContact O-N 3.05Å; F49-C53 VanDerWaalsContact O-N 3.12Å; F49-C53 PolarHBondContact O-SG 2.97Å; F49-C53 VanDerWaalsContact O-SG 3.33Å; F49-F78 AromaticContact CD2-CZ 3.99Å; F49-F78 HydrophobicContact CD2-CZ 3.99Å; F49-F78 HydrophobicContact CE2-CE1 4.27Å; F49-F78 HydrophobicContact CE2-CE2 4.32Å; F49-F78 AromaticContact CE2-CZ 3.56Å; F49-F78 HydrophobicContact CE2-CZ 3.56Å; F49-F78 HydrophobicContact CZ-CZ 4.36Å; F49-D80 HydrophobicContact CE1-CB 3.68Å; F49-D80 HydrophobicContact CZ-CB 3.92Å; F49-M94 HydrophobicContact CB-CG 3.83Å; F49-M94 HydrophobicContact CD1-CG 3.85Å; F49-M94 HydrophobicContact CD1-SD 4.24Å; F49-M94 HydrophobicContact CG-CG 4.06Å |
| 50 | F | 91.8 | Very high | 96 | Very high | 21 Ų | 21 | 58 Ų | 58 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.3 | -26.6 | -179.2 | -73.9 | -61.6 | 0 | 0 | 0 | 111.6 | D48 C53 R54 D80 V92 M94 | D48-F50 PolarHBondContact OD1-N 2.76Å; F50-C53 PolarHBondContact O-N 3.15Å; F50-R54 VanDerWaalsContact O-CB 3.22Å; F50-R54 WeakPolarHBondContact O-CB 3.33Å; F50-R54 WeakPolarHBondContact O-CG 3.41Å; F50-R54 PolarHBondContact O-N 2.81Å; F50-D80 HydrophobicContact CE1-CB 4.32Å; F50-V92 HydrophobicContact CE2-CB 4.17Å; F50-V92 HydrophobicContact CE2-CG1 3.92Å; F50-V92 HydrophobicContact CZ-CB 4.18Å; F50-V92 HydrophobicContact CZ-CG1 3.87Å; F50-M94 HydrophobicContact CD2-CG 4.24Å; F50-M94 HydrophobicContact CE2-CG 3.84Å |
| 51 | E | 95.2 | Very high | 96.1 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 167.4 | -176.5 | -170.1 | 174 | 0 | 0 | 110.8 | H47 D48 C53 R54 T55 | H47-E51 VanDerWaalsContact CA-OE2 3.24Å; H47-E51 WeakPolarHBondContact CA-OE2 3.47Å; H47-E51 HydrophobicContact CB-CG 4.48Å; H47-E51 WeakPolarHBondContact CB-OE2 3.46Å; H47-E51 IonicContact CE1-OE1 2.62Å; H47-E51 IonicContact CG-OE1 3.17Å; H47-E51 IonicContact CG-OE2 3.41Å; H47-E51 IonicContact ND1-OE1 3.65Å; H47-E51 PolarHBondContact ND1-OE1 3.32Å; H47-E51 IonicContact ND1-OE2 2.66Å; D48-E51 HydrophobicContact CB-CB 4.41Å; D48-E51 PolarHBondContact N-OE2 3.19Å; D48-E51 WeakPolarHBondContact OD1-CB 3.37Å; D48-E51 PolarHBondContact OD1-N 3.31Å; E51-C53 PolarHBondContact O-N 3Å; E51-R54 CarbonylContact O-C 3.52Å; E51-R54 PolarHBondContact O-N 3.33Å; E51-T55 WeakPolarHBondContact O-CB 3.49Å; E51-T55 PolarHBondContact O-N 3.12Å; E51-T55 PolarHBondContact O-OG1 3.1Å |
| 52 | I | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 175.1 | -64.9 | 162.8 | 0 | 0 | 0 | 110.4 | L43 R44 H47 D48 F49 R54 T55 L58 V62 F78 | L43-I52 HydrophobicContact CD2-CD1 3.45Å; L43-I52 VanDerWaalsContact CD2-CD1 3.45Å; L43-I52 HydrophobicContact CD2-CG1 3.72Å; L43-I52 HydrophobicContact CD2-CG2 4.45Å; R44-I52 VanDerWaalsContact CD-CD1 3.43Å; R44-I52 HydrophobicContact CG-CD1 4.35Å; H47-I52 HydrophobicContact CB-CD1 4.08Å; H47-I52 HydrophobicContact CB-CG1 3.65Å; D48-I52 WeakPolarHBondContact O-CD1 3.5Å; D48-I52 VanDerWaalsContact O-CG1 3.27Å; D48-I52 WeakPolarHBondContact O-CG1 3.27Å; D48-I52 PolarHBondContact O-N 2.85Å; D48-I52 VanDerWaalsContact O-N 3.1Å; F49-I52 PolarHBondContact O-N 3.49Å; I52-R54 PolarHBondContact O-N 3.13Å; I52-T55 PolarHBondContact O-N 3.35Å; I52-L58 HydrophobicContact CB-CB 4.45Å; I52-L58 HydrophobicContact CG1-CD1 4.31Å; I52-L58 HydrophobicContact CG2-CB 4.08Å; I52-V62 HydrophobicContact CG2-CG2 4.02Å; I52-F78 HydrophobicContact CB-CE1 4.09Å; I52-F78 HydrophobicContact CG2-CD1 3.67Å; I52-F78 HydrophobicContact CG2-CE1 3.4Å; I52-F78 VanDerWaalsContact CG2-CE1 3.4Å; I52-F78 HydrophobicContact CG2-CZ 4.33Å |
| 53 | C | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -34.1 | 177.6 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | F49 F50 E51 Y127 | F49-C53 PolarHBondContact O-N 3.05Å; F49-C53 VanDerWaalsContact O-N 3.12Å; F49-C53 PolarHBondContact O-SG 2.97Å; F49-C53 VanDerWaalsContact O-SG 3.33Å; F50-C53 PolarHBondContact O-N 3.15Å; E51-C53 PolarHBondContact O-N 3Å; C53-Y127 WeakPolarHBondContact O-CD2 3.48Å |
| 54 | R | 96.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 45% | 0.445 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -87.7 | -6.6 | -177.1 | -72.2 | 170.8 | -180 | -91 | -1 | 114.2 | F50 E51 I52 Y127 | F50-R54 VanDerWaalsContact O-CB 3.22Å; F50-R54 WeakPolarHBondContact O-CB 3.33Å; F50-R54 WeakPolarHBondContact O-CG 3.41Å; F50-R54 PolarHBondContact O-N 2.81Å; E51-R54 CarbonylContact O-C 3.52Å; E51-R54 PolarHBondContact O-N 3.33Å; I52-R54 PolarHBondContact O-N 3.13Å; R54-Y127 HydrophobicContact CB-CD2 4.35Å; R54-Y127 HydrophobicContact CB-CG 4.41Å; R54-Y127 HydrophobicContact CG-CD1 4.27Å; R54-Y127 HydrophobicContact CG-CD2 4.07Å; R54-Y127 HydrophobicContact CG-CE1 4.16Å; R54-Y127 HydrophobicContact CG-CE2 3.92Å; R54-Y127 HydrophobicContact CG-CG 4.23Å |
| 55 | T | 98.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | trans | -112.1 | 105.3 | -178.6 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | E51 I52 E57 L58 A59 | E51-T55 WeakPolarHBondContact O-CB 3.49Å; E51-T55 PolarHBondContact O-N 3.12Å; E51-T55 PolarHBondContact O-OG1 3.1Å; I52-T55 PolarHBondContact O-N 3.35Å; T55-E57 VanDerWaalsContact C-N 3.27Å; T55-E57 PolarHBondContact O-N 3.26Å; T55-E57 VanDerWaalsContact O-N 3.15Å; T55-L58 HydrophobicContact CG2-CB 4.25Å; T55-L58 HydrophobicContact CG2-CD1 3.91Å; T55-L58 HydrophobicContact CG2-CG 3.74Å; T55-L58 PolarHBondContact O-N 3.33Å; T55-A59 PolarHBondContact O-N 3.45Å | ||
| 56 | P | 98.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -51.1 | -41.6 | -174.6 | -31.3 | 37.5 | 0 | 0 | 0 | 115.1 | C60 E130 S131 L134 | P56-C60 WeakPolarHBondContact O-CB 3.12Å; P56-C60 PolarHBondContact O-N 3.33Å; P56-E130 HydrophobicContact CB-CB 4.14Å; P56-E130 HydrophobicContact CG-CB 3.66Å; P56-S131 WeakPolarHBondContact CA-OG 3.45Å; P56-L134 HydrophobicContact CB-CD2 4.21Å |
| 57 | E | 98.6 | Very high | 97.1 | Very high | 120 Ų | 120 | 33.7 Ų | 33.7 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -65.7 | -39.5 | 179.3 | -67.6 | 69.8 | -154.9 | 0 | 0 | 112.1 | T55 A61 L134 | T55-E57 VanDerWaalsContact C-N 3.27Å; T55-E57 PolarHBondContact O-N 3.26Å; T55-E57 VanDerWaalsContact O-N 3.15Å; E57-A61 VanDerWaalsContact O-CB 3.29Å; E57-A61 WeakPolarHBondContact O-CB 3.49Å; E57-A61 PolarHBondContact O-N 3.12Å; E57-L134 HydrophobicContact CG-CD2 4.14Å |
| 58 | L | 98.6 | Very high | 97.2 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.3 | -46.6 | 178.6 | -62.4 | 178.8 | 0 | 0 | 0 | 111 | H47 I52 T55 C60 A61 V62 | H47-L58 HydrophobicContact CB-CD1 4.25Å; I52-L58 HydrophobicContact CB-CB 4.45Å; I52-L58 HydrophobicContact CG1-CD1 4.31Å; I52-L58 HydrophobicContact CG2-CB 4.08Å; T55-L58 HydrophobicContact CG2-CB 4.25Å; T55-L58 HydrophobicContact CG2-CD1 3.91Å; T55-L58 HydrophobicContact CG2-CG 3.74Å; T55-L58 PolarHBondContact O-N 3.33Å; L58-C60 VanDerWaalsContact C-N 3.28Å; L58-C60 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 2.91Å; L58-V62 WeakPolarHBondContact O-CB 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3.01Å |
| 59 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T55 T63 | T55-A59 PolarHBondContact O-N 3.45Å; A59-T63 WeakPolarHBondContact O-CB 3.22Å; A59-T63 PolarHBondContact O-N 3.46Å; A59-T63 PolarHBondContact O-OG1 3.3Å |
| 60 | C | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -50.9 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | P56 L58 V62 T63 L64 L134 T135 | P56-C60 WeakPolarHBondContact O-CB 3.12Å; P56-C60 PolarHBondContact O-N 3.33Å; L58-C60 VanDerWaalsContact C-N 3.28Å; L58-C60 PolarHBondContact O-N 3.06Å; C60-V62 VanDerWaalsContact C-N 3.34Å; C60-V62 PolarHBondContact O-N 3.1Å; C60-T63 WeakPolarHBondContact O-CB 3.24Å; C60-T63 PolarHBondContact O-N 3.28Å; C60-T63 VanDerWaalsContact O-N 3.17Å; C60-L64 VanDerWaalsContact O-CG 3.31Å; C60-L64 WeakPolarHBondContact O-CG 3.41Å; C60-L64 PolarHBondContact O-N 3.3Å; C60-L134 HydrophobicContact CB-CD2 3.9Å; C60-L134 HydrophobicContact CB-CG 4.06Å; C60-T135 WeakPolarHBondContact CA-OG1 3.34Å; C60-T135 WeakPolarHBondContact CB-OG1 3.27Å; C60-T135 PolarHBondContact SG-OG1 2.99Å |
| 61 | A | 98.5 | Very high | 98.1 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 37% | 0.372 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E57 L58 T63 L64 Q65 | E57-A61 VanDerWaalsContact O-CB 3.29Å; E57-A61 WeakPolarHBondContact O-CB 3.49Å; E57-A61 PolarHBondContact O-N 3.12Å; L58-A61 PolarHBondContact O-N 2.91Å; A61-T63 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 3.34Å; A61-Q65 WeakPolarHBondContact O-CG 3.39Å; A61-Q65 PolarHBondContact O-N 3.38Å |
| 62 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.3 | 167.7 | 0 | 0 | 0 | 0 | 112.1 | A33 F40 L43 I52 L58 C60 L64 Q65 P66 F78 | A33-V62 HydrophobicContact CB-CG1 3.79Å; A33-V62 WeakPolarHBondContact CB-O 3.28Å; F40-V62 HydrophobicContact CD2-CG1 3.68Å; F40-V62 HydrophobicContact CE2-CG1 3.53Å; L43-V62 HydrophobicContact CD1-CG2 3.8Å; L43-V62 HydrophobicContact CD2-CG2 3.76Å; L43-V62 HydrophobicContact CG-CG2 4.35Å; I52-V62 HydrophobicContact CG2-CG2 4.02Å; L58-V62 WeakPolarHBondContact O-CB 3.24Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 3.01Å; C60-V62 VanDerWaalsContact C-N 3.34Å; C60-V62 PolarHBondContact O-N 3.1Å; V62-L64 VanDerWaalsContact C-N 3.26Å; V62-L64 PolarHBondContact O-N 2.96Å; V62-Q65 PolarHBondContact O-N 2.93Å; V62-P66 WeakPolarHBondContact O-CD 3.18Å; V62-F78 HydrophobicContact CB-CB 4.35Å; V62-F78 HydrophobicContact CB-CG 4.23Å; V62-F78 HydrophobicContact CG1-CB 3.88Å; V62-F78 HydrophobicContact CG1-CD1 4.14Å; V62-F78 HydrophobicContact CG1-CD2 3.37Å; V62-F78 HydrophobicContact CG1-CE2 3.87Å; V62-F78 HydrophobicContact CG1-CG 3.51Å; V62-F78 HydrophobicContact CG1-CZ 4.43Å |
| 63 | T | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 177 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | A59 C60 A61 P66 A75 I76 F78 T135 L145 | A59-T63 WeakPolarHBondContact O-CB 3.22Å; A59-T63 PolarHBondContact O-N 3.46Å; A59-T63 PolarHBondContact O-OG1 3.3Å; C60-T63 WeakPolarHBondContact O-CB 3.24Å; C60-T63 PolarHBondContact O-N 3.28Å; C60-T63 VanDerWaalsContact O-N 3.17Å; A61-T63 PolarHBondContact O-N 3.27Å; T63-P66 WeakPolarHBondContact O-CD 3.41Å; T63-A75 HydrophobicContact CG2-CB 4.09Å; T63-I76 VanDerWaalsContact CG2-O 3.27Å; T63-I76 WeakPolarHBondContact CG2-O 3.47Å; T63-F78 WeakPolarHBondContact OG1-CB 3.46Å; T63-F78 PolarHBondContact OG1-N 2.95Å; T63-T135 HydrophobicContact CG2-CG2 3.66Å; T63-L145 HydrophobicContact CG2-CD1 4.3Å |
| 64 | L | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -79.9 | -21.4 | -177.3 | -65.9 | 176.4 | 0 | 0 | 0 | 113.9 | C60 A61 V62 I67 N68 R138 L139 | C60-L64 VanDerWaalsContact O-CG 3.31Å; C60-L64 WeakPolarHBondContact O-CG 3.41Å; C60-L64 PolarHBondContact O-N 3.3Å; A61-L64 PolarHBondContact O-N 3.34Å; V62-L64 VanDerWaalsContact C-N 3.26Å; V62-L64 PolarHBondContact O-N 2.96Å; L64-I67 PolarHBondContact O-N 3.33Å; L64-I67 VanDerWaalsContact O-N 3.15Å; L64-N68 PolarHBondContact O-N 3.2Å; L64-N68 PolarHBondContact O-ND2 3.38Å; L64-R138 HydrophobicContact CD1-CB 3.83Å; L64-L139 HydrophobicContact CD2-CD2 3.61Å; L64-L139 HydrophobicContact CD2-CG 3.93Å |
| 65 | Q | 98.7 | Very high | 98.6 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -49.1 | -57.6 | 179.9 | -70.5 | 174 | -14.3 | 0 | 0 | 113 | L37 E39 A61 V62 I67 N68 R69 | L37-Q65 HydrophobicContact CD1-CB 4.05Å; E39-Q65 HydrophobicContact CG-CB 4.07Å; E39-Q65 VanDerWaalsContact CG-CD 3.46Å; E39-Q65 HydrophobicContact CG-CG 3.68Å; E39-Q65 PolarHBondContact O-NE2 3.41Å; E39-Q65 VanDerWaalsContact O-NE2 3.15Å; A61-Q65 WeakPolarHBondContact O-CG 3.39Å; A61-Q65 PolarHBondContact O-N 3.38Å; V62-Q65 PolarHBondContact O-N 2.93Å; Q65-I67 VanDerWaalsContact C-N 3.33Å; Q65-I67 PolarHBondContact O-N 2.99Å; Q65-N68 PolarHBondContact O-N 3.4Å; Q65-R69 PolarHBondContact O-N 3.16Å |
| 66 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -33.8 | 179 | 25.2 | -35.5 | 0 | 0 | 0 | 113.3 | Q32 A33 L37 V62 T63 N68 R69 F70 L72 | Q32-P66 HydrophobicContact CB-CB 3.91Å; Q32-P66 HydrophobicContact CB-CG 4.05Å; Q32-P66 HydrophobicContact CG-CB 4.2Å; Q32-P66 HydrophobicContact CG-CG 3.83Å; Q32-P66 WeakPolarHBondContact O-CB 3.27Å; A33-P66 HydrophobicContact CB-CG 4.23Å; L37-P66 HydrophobicContact CD1-CB 4.34Å; V62-P66 WeakPolarHBondContact O-CD 3.18Å; T63-P66 WeakPolarHBondContact O-CD 3.41Å; P66-N68 PolarHBondContact O-N 2.96Å; P66-R69 PolarHBondContact O-N 2.79Å; P66-R69 VanDerWaalsContact O-N 3.15Å; P66-F70 HydrophobicContact CB-CD2 4.15Å; P66-F70 HydrophobicContact CB-CE2 4.39Å; P66-F70 WeakPolarHBondContact O-CD2 3.35Å; P66-F70 PolarHBondContact O-N 2.89Å; P66-L72 HydrophobicContact CB-CD1 3.81Å |
| 67 | I | 98.7 | Very high | 98.6 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 9% | 0.087 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -27.2 | 178.3 | -56.6 | -55.8 | 0 | 0 | 0 | 111.9 | L64 Q65 L72 A74 A75 L139 V143 | L64-I67 PolarHBondContact O-N 3.33Å; L64-I67 VanDerWaalsContact O-N 3.15Å; Q65-I67 VanDerWaalsContact C-N 3.33Å; Q65-I67 PolarHBondContact O-N 2.99Å; I67-L72 HydrophobicContact CD1-CB 4.03Å; I67-L72 HydrophobicContact CD1-CD1 4.29Å; I67-A74 WeakPolarHBondContact CD1-O 3.41Å; I67-A75 HydrophobicContact CD1-CB 3.91Å; I67-A75 HydrophobicContact CG1-CB 3.89Å; I67-L139 HydrophobicContact CG1-CD2 4.34Å; I67-L139 HydrophobicContact CG2-CD2 4.09Å; I67-V143 HydrophobicContact CD1-CG2 4.15Å; I67-V143 HydrophobicContact CG2-CG2 4.36Å |
| 68 | N | 98.2 | Very high | 98.6 | Very high | 105 Ų | 105 | 23 Ų | 23 | 56% | 0.561 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -84.8 | -17.5 | 176.4 | -63.8 | -24 | 0 | 0 | 0 | 112.5 | L64 Q65 P66 R142 | L64-N68 PolarHBondContact O-N 3.2Å; L64-N68 PolarHBondContact O-ND2 3.38Å; Q65-N68 PolarHBondContact O-N 3.4Å; P66-N68 PolarHBondContact O-N 2.96Å; N68-R142 PolarHBondContact OD1-NH1 2.82Å |
| 69 | R | 97.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 22.2 Ų | 22.2 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -94.5 | -39.9 | 178.3 | -80.4 | -167.8 | 176.2 | -121.8 | -1.8 | 113.8 | E39 Q65 P66 | E39-R69 VanDerWaalsContact CD-NE 3.28Å; E39-R69 WeakPolarHBondContact OE1-CD 3.48Å; E39-R69 IonicContact OE1-CZ 3.66Å; E39-R69 IonicContact OE1-NE 2.81Å; E39-R69 PolarHBondContact OE1-NE 3.2Å; E39-R69 IonicContact OE1-NH2 3.64Å; E39-R69 IonicContact OE2-CZ 3.78Å; E39-R69 IonicContact OE2-NE 3.79Å; E39-R69 PolarHBondContact OE2-NE 3.48Å; E39-R69 VanDerWaalsContact OE2-NE 3.17Å; E39-R69 IonicContact OE2-NH2 3.98Å; E39-R69 PolarHBondContact OE2-NH2 3.25Å; Q65-R69 PolarHBondContact O-N 3.16Å; P66-R69 PolarHBondContact O-N 2.79Å; P66-R69 VanDerWaalsContact O-N 3.15Å |
| 70 | F | 98.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 5% | 0.053 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -126.8 | 147 | -168.7 | -44.6 | -63.7 | 0 | 0 | 0 | 109.7 | Y36 L37 P66 L72 P345 V348 N349 V352 | Y36-F70 HydrophobicContact CE2-CE2 4.06Å; Y36-F70 HydrophobicContact CE2-CZ 4.06Å; Y36-F70 WeakPolarHBondContact OH-CE2 3.3Å; L37-F70 HydrophobicContact CD2-CE2 4.02Å; L37-F70 HydrophobicContact CD2-CZ 4.06Å; P66-F70 HydrophobicContact CB-CD2 4.15Å; P66-F70 HydrophobicContact CB-CE2 4.39Å; P66-F70 WeakPolarHBondContact O-CD2 3.35Å; P66-F70 PolarHBondContact O-N 2.89Å; F70-L72 HydrophobicContact CB-CD1 4.08Å; F70-L72 HydrophobicContact CB-CG 3.89Å; F70-L72 HydrophobicContact CD2-CD1 4.08Å; F70-L72 PolarHBondContact O-N 3Å; F70-P345 WeakPolarHBondContact CE1-O 3.28Å; F70-P345 HydrophobicContact CZ-CB 4.18Å; F70-V348 HydrophobicContact CD1-CG1 4.21Å; F70-V348 HydrophobicContact CD2-CG1 4.03Å; F70-V348 HydrophobicContact CE1-CB 4.09Å; F70-V348 HydrophobicContact CE1-CG1 4.02Å; F70-V348 HydrophobicContact CE2-CB 4.47Å; F70-V348 HydrophobicContact CE2-CG1 3.85Å; F70-V348 HydrophobicContact CG-CG1 4.21Å; F70-V348 HydrophobicContact CZ-CB 3.98Å; F70-V348 HydrophobicContact CZ-CG1 3.83Å; F70-N349 HydrophobicContact CD1-CB 3.82Å; F70-N349 HydrophobicContact CE1-CB 3.92Å; F70-V352 HydrophobicContact CB-CG2 4.45Å |
| 71 | D | 98.2 | Very high | 98.4 | Very high | 76 Ų | 76 | 24.6 Ų | 24.6 | 41% | 0.406 | 13% | 0.128 | S | C | . | . | trans | -74.9 | 57.4 | 172.8 | -170.9 | 18 | 0 | 0 | 0 | 111.2 | R24 V352 H356 | R24-D71 IonicContact CZ-OD2 3.85Å; R24-D71 VanDerWaalsContact CZ-OD2 3.27Å; R24-D71 IonicContact NH1-OD2 2.79Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å; R24-D71 VanDerWaalsContact NH2-CG 3.33Å; R24-D71 IonicContact NH2-OD1 2.91Å; R24-D71 PolarHBondContact NH2-OD1 3.48Å; R24-D71 VanDerWaalsContact NH2-OD1 3.08Å; R24-D71 IonicContact NH2-OD2 3.79Å; R24-D71 PolarHBondContact NH2-OD2 3.15Å; D71-V352 HydrophobicContact CB-CG1 4.41Å; D71-V352 WeakPolarHBondContact O-CG1 3.5Å; D71-H356 PolarHBondContact O-CE1 3.15Å; D71-H356 IonicContact OD2-CE1 3.71Å; D71-H356 PolarHBondContact OD2-CE1 3.49Å; D71-H356 IonicContact OD2-ND1 2.89Å; D71-H356 PolarHBondContact OD2-ND1 3.49Å | ||
| 72 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | trans | -73.7 | 140.8 | 177 | -66 | 158.7 | 0 | 0 | 0 | 109.7 | I29 Q32 P66 I67 F70 A74 V143 V352 | I29-L72 HydrophobicContact CD1-CD2 4.28Å; I29-L72 HydrophobicContact CG1-CD2 4.2Å; Q32-L72 HydrophobicContact CB-CD1 4.24Å; P66-L72 HydrophobicContact CB-CD1 3.81Å; I67-L72 HydrophobicContact CD1-CB 4.03Å; I67-L72 HydrophobicContact CD1-CD1 4.29Å; F70-L72 HydrophobicContact CB-CD1 4.08Å; F70-L72 HydrophobicContact CB-CG 3.89Å; F70-L72 HydrophobicContact CD2-CD1 4.08Å; F70-L72 PolarHBondContact O-N 3Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 3.28Å; L72-V143 WeakPolarHBondContact O-CG1 3.27Å; L72-V352 HydrophobicContact CD2-CG2 3.72Å; L72-V352 HydrophobicContact CG-CG2 4.47Å | ||
| 73 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -85.5 | 2.6 | -179.1 | -60.7 | -80.7 | 0 | 0 | 0 | 113.6 | N10 I13 R24 P26 V27 P144 H356 | N10-D73 PolarHBondContact ND2-OD1 3.44Å; I13-D73 WeakPolarHBondContact CG2-O 3.24Å; R24-D73 IonicContact CZ-OD1 3.52Å; R24-D73 IonicContact NE-OD1 3.78Å; R24-D73 PolarHBondContact NE-OD1 3.33Å; R24-D73 VanDerWaalsContact NE-OD1 3.16Å; R24-D73 IonicContact NH2-OD1 3.16Å; R24-D73 PolarHBondContact NH2-OD1 3.42Å; P26-D73 VanDerWaalsContact CA-OD2 3.3Å; P26-D73 WeakPolarHBondContact CA-OD2 3.4Å; P26-D73 HydrophobicContact CB-CB 3.79Å; V27-D73 PolarHBondContact N-OD2 2.89Å; V27-D73 PolarHBondContact O-N 3.03Å; D73-P144 VanDerWaalsContact O-CD 3.28Å; D73-P144 WeakPolarHBondContact O-CD 3.24Å; D73-H356 IonicContact OD1-NE2 3.27Å; D73-H356 IonicContact OD2-CD2 3.46Å; D73-H356 IonicContact OD2-CE1 3.93Å; D73-H356 IonicContact OD2-NE2 3.64Å; D73-H356 PolarHBondContact OD2-NE2 3.38Å |
| 74 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -154.2 | 148.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I13 W28 Q32 I67 L72 I146 | I13-A74 HydrophobicContact CD1-CB 3.57Å; I13-A74 HydrophobicContact CG2-CB 4.22Å; W28-A74 HydrophobicContact CB-CB 3.99Å; W28-A74 HydrophobicContact CG-CB 4.25Å; Q32-A74 PolarHBondContact NE2-O 3.27Å; I67-A74 WeakPolarHBondContact CD1-O 3.41Å; L72-A74 VanDerWaalsContact C-N 3.28Å; L72-A74 PolarHBondContact O-N 3.28Å; A74-I146 HydrophobicContact CB-CD1 3.73Å; A74-I146 HydrophobicContact CB-CG1 4.09Å | ||
| 75 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T63 I67 L139 V143 P144 L145 I146 | T63-A75 HydrophobicContact CG2-CB 4.09Å; I67-A75 HydrophobicContact CD1-CB 3.91Å; I67-A75 HydrophobicContact CG1-CB 3.89Å; A75-L139 HydrophobicContact CB-CD1 3.84Å; A75-L139 HydrophobicContact CB-CD2 4.04Å; A75-V143 HydrophobicContact CB-CG2 4.33Å; A75-P144 PolarHBondContact N-O 3.26Å; A75-L145 HydrophobicContact CB-CD1 3.97Å; A75-L145 CarbonylContact O-C 3.53Å; A75-L145 WeakPolarHBondContact O-CA 3.39Å; A75-I146 WeakPolarHBondContact O-CB 3.13Å; A75-I146 WeakPolarHBondContact O-CG1 3.29Å; A75-I146 PolarHBondContact O-N 2.9Å |
| 76 | I | 98.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 21.9 Ų | 21.9 | 9% | 0.092 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.9 | 165.8 | -176.4 | 166.1 | 0 | 0 | 0 | 108.2 | W28 Q32 T63 F78 I146 F148 F211 | W28-I76 HydrophobicContact CE3-CB 4.41Å; W28-I76 HydrophobicContact CE3-CG2 4.29Å; W28-I76 HydrophobicContact CH2-CD1 3.87Å; W28-I76 HydrophobicContact CZ3-CB 3.99Å; W28-I76 HydrophobicContact CZ3-CD1 3.72Å; W28-I76 HydrophobicContact CZ3-CG1 4.46Å; W28-I76 HydrophobicContact CZ3-CG2 3.94Å; Q32-I76 HydrophobicContact CG-CG2 4.02Å; T63-I76 VanDerWaalsContact CG2-O 3.27Å; T63-I76 WeakPolarHBondContact CG2-O 3.47Å; I76-F78 PolarHBondContact O-N 2.94Å; I76-I146 HydrophobicContact CB-CB 4.05Å; I76-I146 HydrophobicContact CD1-CG2 4.16Å; I76-I146 HydrophobicContact CG1-CB 4.07Å; I76-I146 HydrophobicContact CG1-CG2 4.14Å; I76-F148 HydrophobicContact CD1-CB 4.41Å; I76-F148 HydrophobicContact CD1-CD1 4.05Å; I76-F148 HydrophobicContact CD1-CG 4.34Å; I76-F148 HydrophobicContact CG1-CD1 4.02Å; I76-F211 HydrophobicContact CD1-CE2 4.29Å; I76-F211 HydrophobicContact CD1-CZ 4.18Å |
| 77 | I | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -57.9 | 135.2 | -179.1 | -172.2 | 65.2 | 0 | 0 | 0 | 110.1 | S79 I132 T135 L145 I146 F148 | I77-S79 PolarHBondContact O-N 3.26Å; I77-I132 HydrophobicContact CB-CG1 4.13Å; I77-I132 HydrophobicContact CD1-CG1 4.12Å; I77-I132 HydrophobicContact CG1-CG1 3.74Å; I77-I132 HydrophobicContact CG2-CD1 4.46Å; I77-I132 HydrophobicContact CG2-CG1 4.25Å; I77-T135 HydrophobicContact CD1-CG2 4.43Å; I77-L145 HydrophobicContact CB-CD1 4.2Å; I77-I146 PolarHBondContact N-O 3.05Å; I77-F148 HydrophobicContact CG2-CD1 3.93Å; I77-F148 HydrophobicContact CG2-CE1 3.99Å; I77-F148 VanDerWaalsContact O-CE1 3.26Å; I77-F148 WeakPolarHBondContact O-CE1 3.42Å | ||
| 78 | F | 98.7 | Very high | 98.2 | Very high | 20 Ų | 20 | 21.6 Ų | 21.6 | 9% | 0.088 | 11% | 0.107 | C | C | . | . | trans | -74 | 114.3 | 169.8 | -172.1 | -93.4 | 0 | 0 | 0 | 109.7 | A33 F40 F49 I52 V62 T63 I76 | A33-F78 HydrophobicContact CB-CD2 4.23Å; F40-F78 HydrophobicContact CE2-CD2 4.21Å; F40-F78 AromaticContact CE2-CE2 3.53Å; F40-F78 HydrophobicContact CE2-CE2 3.53Å; F40-F78 HydrophobicContact CE2-CZ 4.05Å; F40-F78 AromaticContact CZ-CE2 3.82Å; F40-F78 HydrophobicContact CZ-CE2 3.82Å; F40-F78 HydrophobicContact CZ-CZ 4.08Å; F49-F78 AromaticContact CD2-CZ 3.99Å; F49-F78 HydrophobicContact CD2-CZ 3.99Å; F49-F78 HydrophobicContact CE2-CE1 4.27Å; F49-F78 HydrophobicContact CE2-CE2 4.32Å; F49-F78 AromaticContact CE2-CZ 3.56Å; F49-F78 HydrophobicContact CE2-CZ 3.56Å; F49-F78 HydrophobicContact CZ-CZ 4.36Å; I52-F78 HydrophobicContact CB-CE1 4.09Å; I52-F78 HydrophobicContact CG2-CD1 3.67Å; I52-F78 HydrophobicContact CG2-CE1 3.4Å; I52-F78 VanDerWaalsContact CG2-CE1 3.4Å; I52-F78 HydrophobicContact CG2-CZ 4.33Å; V62-F78 HydrophobicContact CB-CB 4.35Å; V62-F78 HydrophobicContact CB-CG 4.23Å; V62-F78 HydrophobicContact CG1-CB 3.88Å; V62-F78 HydrophobicContact CG1-CD1 4.14Å; V62-F78 HydrophobicContact CG1-CD2 3.37Å; V62-F78 HydrophobicContact CG1-CE2 3.87Å; V62-F78 HydrophobicContact CG1-CG 3.51Å; V62-F78 HydrophobicContact CG1-CZ 4.43Å; T63-F78 WeakPolarHBondContact OG1-CB 3.46Å; T63-F78 PolarHBondContact OG1-N 2.95Å; I76-F78 PolarHBondContact O-N 2.94Å | ||
| 79 | S | 97.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 19.2 Ų | 19.2 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | trans | -157.9 | -166.4 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 107.5 | I77 | I77-S79 PolarHBondContact O-N 3.26Š| ||
| 80 | D | 96.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 17% | 0.166 | 9% | 0.09 | C | C | . | . | trans | -135.7 | 150.1 | 174.6 | -168.1 | -97.8 | 0 | 0 | 0 | 111.7 | F49 F50 L82 V83 | F49-D80 HydrophobicContact CE1-CB 3.68Å; F49-D80 HydrophobicContact CZ-CB 3.92Å; F50-D80 HydrophobicContact CE1-CB 4.32Å; D80-L82 PolarHBondContact O-N 2.9Å; D80-L82 WeakPolarHBondContact OD1-CA 3.39Å; D80-L82 WeakPolarHBondContact OD1-CB 3.35Å; D80-L82 WeakPolarHBondContact OD1-CG 3.44Å; D80-L82 PolarHBondContact OD1-N 2.65Å; D80-V83 HydrophobicContact CB-CG1 4.43Å; D80-V83 WeakPolarHBondContact O-CG1 3.38Å; D80-V83 VanDerWaalsContact O-CG2 3.28Å; D80-V83 WeakPolarHBondContact O-CG2 3.39Å; D80-V83 PolarHBondContact O-N 2.93Å | ||
| 81 | I | 97.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.128 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.7 | 177.7 | 60.9 | 171.3 | 0 | 0 | 0 | 112.2 | V83 F148 T154 L155 Y158 F211 | I81-V83 PolarHBondContact O-N 3.38Å; I81-F148 HydrophobicContact CG2-CD2 3.97Å; I81-F148 HydrophobicContact CG2-CE2 3.66Å; I81-T154 HydrophobicContact CD1-CG2 3.86Å; I81-L155 HydrophobicContact CB-CD2 4.22Å; I81-L155 WeakPolarHBondContact O-CD2 3.35Å; I81-Y158 HydrophobicContact CD1-CD2 4.17Å; I81-Y158 HydrophobicContact CD1-CE2 3.69Å; I81-F211 HydrophobicContact CG2-CB 4.49Å |
| 82 | L | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 1.3 | -175.1 | -53.7 | 180 | 0 | 0 | 0 | 113.6 | D80 I84 P85 Q86 V92 P100 F102 L155 Y158 | D80-L82 PolarHBondContact O-N 2.9Å; D80-L82 WeakPolarHBondContact OD1-CA 3.39Å; D80-L82 WeakPolarHBondContact OD1-CB 3.35Å; D80-L82 WeakPolarHBondContact OD1-CG 3.44Å; D80-L82 PolarHBondContact OD1-N 2.65Å; L82-I84 PolarHBondContact O-N 2.92Å; L82-P85 HydrophobicContact CD2-CG 4.44Å; L82-P85 WeakPolarHBondContact O-CD 3.32Å; L82-Q86 WeakPolarHBondContact O-CG 3.48Å; L82-Q86 PolarHBondContact O-N 2.89Å; L82-V92 HydrophobicContact CD1-CG1 4.07Å; L82-P100 HydrophobicContact CD1-CB 3.34Å; L82-P100 HydrophobicContact CD1-CG 3.64Å; L82-F102 HydrophobicContact CD1-CE2 4.2Å; L82-F102 HydrophobicContact CD1-CZ 4.46Å; L82-F102 HydrophobicContact CD2-CE2 4.19Å; L82-F102 HydrophobicContact CD2-CZ 4.14Å; L82-L155 HydrophobicContact CD2-CD2 4.49Å; L82-Y158 HydrophobicContact CD1-CD1 4.49Å; L82-Y158 HydrophobicContact CD2-CD1 4.16Å; L82-Y158 HydrophobicContact CD2-CD2 3.73Å; L82-Y158 HydrophobicContact CD2-CE2 4.38Å; L82-Y158 HydrophobicContact CD2-CG 3.63Å |
| 83 | V | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -31.3 | 173.7 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | D80 I81 Q86 A87 L125 Y127 | D80-V83 HydrophobicContact CB-CG1 4.43Å; D80-V83 WeakPolarHBondContact O-CG1 3.38Å; D80-V83 VanDerWaalsContact O-CG2 3.28Å; D80-V83 WeakPolarHBondContact O-CG2 3.39Å; D80-V83 PolarHBondContact O-N 2.93Å; I81-V83 PolarHBondContact O-N 3.38Å; V83-Q86 PolarHBondContact O-N 3.24Å; V83-A87 PolarHBondContact O-N 2.97Å; V83-L125 HydrophobicContact CB-CD1 4.46Å; V83-L125 HydrophobicContact CB-CD2 3.9Å; V83-L125 HydrophobicContact CG2-CD1 3.97Å; V83-L125 HydrophobicContact CG2-CD2 4.28Å; V83-Y127 HydrophobicContact CG1-CE2 4.48Å; V83-Y127 WeakPolarHBondContact CG1-OH 3.4Å |
| 84 | I | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.2 | -53.3 | 177.1 | -67.5 | 172 | 0 | 0 | 0 | 111.3 | L82 Q86 A87 L88 L125 A149 L155 L189 K192 V193 H196 | L82-I84 PolarHBondContact O-N 2.92Å; I84-Q86 PolarHBondContact O-N 2.91Å; I84-A87 PolarHBondContact O-N 2.69Å; I84-A87 VanDerWaalsContact O-N 3.12Å; I84-L88 HydrophobicContact CG2-CD1 4.42Å; I84-L88 PolarHBondContact O-N 3.48Å; I84-L125 HydrophobicContact CG1-CD1 4.29Å; I84-A149 HydrophobicContact CD1-CB 4.34Å; I84-L155 HydrophobicContact CB-CD1 4.18Å; I84-L155 HydrophobicContact CD1-CD1 4.11Å; I84-L155 HydrophobicContact CG2-CD1 4.15Å; I84-L189 HydrophobicContact CG2-CD2 4.21Å; I84-K192 HydrophobicContact CG2-CB 3.84Å; I84-V193 HydrophobicContact CD1-CB 4.34Å; I84-V193 HydrophobicContact CD1-CG2 3.59Å; I84-H196 HydrophobicContact CD1-CB 4.16Å; I84-H196 HydrophobicContact CG1-CB 4.47Å |
| 85 | P | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.8 | -38.5 | 169.1 | -30.1 | 32.8 | 0 | 0 | 0 | 114.4 | L82 L88 G89 M90 F102 L155 M159 | L82-P85 HydrophobicContact CD2-CG 4.44Å; L82-P85 WeakPolarHBondContact O-CD 3.32Å; P85-L88 WeakPolarHBondContact O-CB 3.23Å; P85-L88 PolarHBondContact O-N 2.91Å; P85-G89 PolarHBondContact O-N 3.4Å; P85-M90 WeakPolarHBondContact O-CB 3.39Å; P85-M90 PolarHBondContact O-N 3.14Å; P85-M90 VanDerWaalsContact O-N 3.1Å; P85-F102 HydrophobicContact CB-CE1 3.58Å; P85-F102 HydrophobicContact CB-CZ 3.59Å; P85-F102 HydrophobicContact CG-CZ 4.11Å; P85-L155 HydrophobicContact CG-CD2 4.2Å; P85-M159 HydrophobicContact CB-CG 3.94Å; P85-M159 HydrophobicContact CB-SD 4.26Å; P85-M159 HydrophobicContact CG-CG 3.93Å; P85-M159 HydrophobicContact CG-SD 4.05Å |
| 86 | Q | 97.2 | Very high | 95.9 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 174.6 | -73.3 | -174.1 | 16.5 | 0 | 0 | 112.8 | L82 V83 I84 L88 G89 M90 V92 | L82-Q86 WeakPolarHBondContact O-CG 3.48Å; L82-Q86 PolarHBondContact O-N 2.89Å; V83-Q86 PolarHBondContact O-N 3.24Å; I84-Q86 PolarHBondContact O-N 2.91Å; Q86-L88 PolarHBondContact O-N 3.39Å; Q86-G89 WeakPolarHBondContact O-CA 3.27Å; Q86-G89 PolarHBondContact O-N 3.27Å; Q86-M90 WeakPolarHBondContact CA-O 3.33Å; Q86-V92 HydrophobicContact CG-CB 4.25Å; Q86-V92 HydrophobicContact CG-CG2 3.83Å |
| 87 | A | 97.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V83 I84 G89 V119 E124 L125 | V83-A87 PolarHBondContact O-N 2.97Å; I84-A87 PolarHBondContact O-N 2.69Å; I84-A87 VanDerWaalsContact O-N 3.12Å; A87-G89 PolarHBondContact O-N 2.85Å; A87-G89 VanDerWaalsContact O-N 3.16Å; A87-V119 HydrophobicContact CB-CG2 4.46Å; A87-V119 VanDerWaalsContact O-CG2 3.32Å; A87-V119 WeakPolarHBondContact O-CG2 3.31Å; A87-E124 HydrophobicContact CB-CB 4.02Å; A87-L125 HydrophobicContact CB-CD2 3.99Å; A87-L125 HydrophobicContact CB-CG 4.16Å |
| 88 | L | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 0.3 | 172.7 | -71.2 | 171.8 | 0 | 0 | 0 | 114 | I84 P85 Q86 L115 N116 V119 M159 L188 L189 K192 | I84-L88 HydrophobicContact CG2-CD1 4.42Å; I84-L88 PolarHBondContact O-N 3.48Å; P85-L88 WeakPolarHBondContact O-CB 3.23Å; P85-L88 PolarHBondContact O-N 2.91Å; Q86-L88 PolarHBondContact O-N 3.39Å; L88-L115 HydrophobicContact CB-CD2 4.38Å; L88-L115 WeakPolarHBondContact O-CA 3.46Å; L88-N116 WeakPolarHBondContact CD2-O 3.45Å; L88-N116 PolarHBondContact O-N 3.01Å; L88-V119 HydrophobicContact CD2-CG1 3.92Å; L88-M159 HydrophobicContact CD1-CE 4.13Å; L88-L188 HydrophobicContact CD2-CD1 4.27Å; L88-L188 HydrophobicContact CD2-CD2 4.11Å; L88-L188 HydrophobicContact CD2-CG 4.29Å; L88-L189 HydrophobicContact CD1-CD2 3.77Å; L88-K192 HydrophobicContact CD2-CG 4.17Å |
| 89 | G | 97.7 | Very high | 93.9 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 57% | 0.567 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 10.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P85 Q86 A87 | P85-G89 PolarHBondContact O-N 3.4Å; Q86-G89 WeakPolarHBondContact O-CA 3.27Å; Q86-G89 PolarHBondContact O-N 3.27Å; A87-G89 PolarHBondContact O-N 2.85Å; A87-G89 VanDerWaalsContact O-N 3.16Å |
| 90 | M | 97.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | trans | -88.9 | 128.8 | 175.1 | -60.3 | -171.7 | 74.6 | 0 | 0 | 111.7 | P85 Q86 F102 E104 L106 L115 M159 | P85-M90 WeakPolarHBondContact O-CB 3.39Å; P85-M90 PolarHBondContact O-N 3.14Å; P85-M90 VanDerWaalsContact O-N 3.1Å; Q86-M90 WeakPolarHBondContact CA-O 3.33Å; M90-F102 HydrophobicContact CB-CD1 3.7Å; M90-F102 HydrophobicContact CB-CE1 3.69Å; M90-F102 HydrophobicContact CE-CB 4.45Å; M90-F102 HydrophobicContact CE-CD1 3.57Å; M90-F102 HydrophobicContact CE-CE1 4.04Å; M90-F102 HydrophobicContact CE-CG 4.15Å; M90-F102 HydrophobicContact CG-CE1 4.47Å; M90-F102 HydrophobicContact SD-CD1 4.09Å; M90-F102 HydrophobicContact SD-CE1 3.96Å; M90-E104 WeakPolarHBondContact CE-O 3.36Å; M90-L106 HydrophobicContact CE-CD2 4.36Å; M90-L106 HydrophobicContact CE-CG 3.97Å; M90-L106 HydrophobicContact SD-CG 4.32Å; M90-L115 HydrophobicContact CG-CD2 3.68Å; M90-L115 HydrophobicContact SD-CD2 3.95Å; M90-M159 HydrophobicContact CE-CB 4.07Å; M90-M159 HydrophobicContact CE-CG 4.42Å; M90-M159 HydrophobicContact CG-CE 4.48Å; M90-M159 HydrophobicContact SD-CB 3.78Å; M90-M159 HydrophobicContact SD-CE 3.35Å; M90-M159 WeakPolarHBondContact SD-CE 3.29Å; M90-M159 HydrophobicContact SD-CG 3.59Å; M90-M159 VanDerWaalsContact SD-CG 3.59Å; M90-M159 HydrophobicContact SD-SD 4.29Å | ||
| 91 | E | 96.7 | Very high | 93.5 | Very high | 96 Ų | 96 | 46 Ų | 46 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | trans | -80.5 | 129.9 | 176.3 | -177.9 | -167.4 | -165.4 | 0 | 0 | 111 | K93 F102 T103 | E91-K93 WeakPolarHBondContact OE1-CE 3.28Å; E91-K93 IonicContact OE1-NZ 2.91Å; E91-K93 PolarHBondContact OE1-NZ 3.49Å; E91-K93 IonicContact OE2-NZ 3.98Å; E91-F102 WeakPolarHBondContact O-CA 3.43Å; E91-T103 WeakPolarHBondContact CB-OG1 3.36Å; E91-T103 HydrophobicContact CG-CG2 4.13Å; E91-T103 PolarHBondContact O-N 3.15Å; E91-T103 VanDerWaalsContact O-N 3.15Å; E91-T103 WeakPolarHBondContact OE2-CB 3.39Å; E91-T103 WeakPolarHBondContact OE2-CG2 3.17Å; E91-T103 PolarHBondContact OE2-OG1 3.22Å | ||
| 92 | V | 95.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | 177.1 | -174 | 0 | 0 | 0 | 0 | 109.4 | F50 L82 Q86 P100 K101 F102 | F50-V92 HydrophobicContact CE2-CB 4.17Å; F50-V92 HydrophobicContact CE2-CG1 3.92Å; F50-V92 HydrophobicContact CZ-CB 4.18Å; F50-V92 HydrophobicContact CZ-CG1 3.87Å; L82-V92 HydrophobicContact CD1-CG1 4.07Å; Q86-V92 HydrophobicContact CG-CB 4.25Å; Q86-V92 HydrophobicContact CG-CG2 3.83Å; V92-P100 HydrophobicContact CG1-CB 3.87Å; V92-K101 WeakPolarHBondContact CA-O 3.37Å; V92-F102 HydrophobicContact CG2-CD1 3.51Å; V92-F102 HydrophobicContact CG2-CD2 4.37Å; V92-F102 HydrophobicContact CG2-CE1 3.22Å; V92-F102 HydrophobicContact CG2-CE2 4.07Å; V92-F102 HydrophobicContact CG2-CG 4.11Å; V92-F102 HydrophobicContact CG2-CZ 3.52Å |
| 93 | K | 92.9 | Very high | 93.5 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139 | 173.1 | -66 | -177.6 | 179.7 | 163.9 | 0 | 110.1 | E91 Q95 K101 T103 | E91-K93 WeakPolarHBondContact OE1-CE 3.28Å; E91-K93 IonicContact OE1-NZ 2.91Å; E91-K93 PolarHBondContact OE1-NZ 3.49Å; E91-K93 IonicContact OE2-NZ 3.98Å; K93-Q95 PolarHBondContact O-N 3.45Å; K93-K101 PolarHBondContact N-O 3.3Å; K93-K101 PolarHBondContact O-N 3.31Å; K93-T103 HydrophobicContact CD-CG2 3.75Å; K93-T103 HydrophobicContact CG-CG2 4.03Å |
| 94 | M | 89.5 | Confident | 93.4 | Very high | 73 Ų | 73 | 53.5 Ų | 53.5 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 107.7 | 167.7 | -76.5 | -60.1 | -72.5 | 0 | 0 | 109.1 | F49 F50 P100 | F49-M94 HydrophobicContact CB-CG 3.83Å; F49-M94 HydrophobicContact CD1-CG 3.85Å; F49-M94 HydrophobicContact CD1-SD 4.24Å; F49-M94 HydrophobicContact CG-CG 4.06Å; F50-M94 HydrophobicContact CD2-CG 4.24Å; F50-M94 HydrophobicContact CE2-CG 3.84Å; M94-P100 HydrophobicContact SD-CB 3.78Å; M94-P100 HydrophobicContact SD-CG 4.37Å |
| 95 | Q | 87.3 | Confident | 93.4 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.7 | 175.4 | -176.7 | 173.8 | -13 | 0 | 0 | 109.5 | K93 G97 V98 G99 | K93-Q95 PolarHBondContact O-N 3.45Å; Q95-G97 PolarHBondContact O-N 3.26Å; Q95-V98 HydrophobicContact CB-CB 4.07Å; Q95-V98 HydrophobicContact CG-CB 3.98Å; Q95-V98 HydrophobicContact CG-CG2 4.01Å; Q95-V98 PolarHBondContact O-N 3.36Å; Q95-V98 VanDerWaalsContact O-N 3.09Å; Q95-G99 PolarHBondContact N-O 2.91Å; Q95-G99 PolarHBondContact O-N 3.05Å |
| 96 | P | 84 | Confident | 93.5 | Very high | 123 Ų | 123 | 54.5 Ų | 54.5 | 80% | 0.799 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131.9 | 178.5 | -27.4 | 35.3 | 0 | 0 | 0 | 112.1 | V98 | P96-V98 PolarHBondContact O-N 3.27Å; P96-V98 VanDerWaalsContact O-N 3.1Å |
| 97 | G | 82.4 | Confident | 93.4 | Very high | 95 Ų | 95 | 58.5 Ų | 58.5 | 98% | 0.979 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -13 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q95 | Q95-G97 PolarHBondContact O-N 3.26Š|
| 98 | V | 84.6 | Confident | 93.4 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 61% | 0.606 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -41.4 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | Q95 P96 | Q95-V98 HydrophobicContact CB-CB 4.07Å; Q95-V98 HydrophobicContact CG-CB 3.98Å; Q95-V98 HydrophobicContact CG-CG2 4.01Å; Q95-V98 PolarHBondContact O-N 3.36Å; Q95-V98 VanDerWaalsContact O-N 3.09Å; P96-V98 PolarHBondContact O-N 3.27Å; P96-V98 VanDerWaalsContact O-N 3.1Å |
| 99 | G | 86.5 | Confident | 93.2 | Very high | 14 Ų | 14 | 62 Ų | 62 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.6 | -158.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q95 | Q95-G99 PolarHBondContact N-O 2.91Å; Q95-G99 PolarHBondContact O-N 3.05Å |
| 100 | P | 91.2 | Very high | 93.2 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 135.6 | -173.7 | 28.1 | -33.4 | 0 | 0 | 0 | 111.7 | L82 V92 M94 Y158 G163 | L82-P100 HydrophobicContact CD1-CB 3.34Å; L82-P100 HydrophobicContact CD1-CG 3.64Å; V92-P100 HydrophobicContact CG1-CB 3.87Å; M94-P100 HydrophobicContact SD-CB 3.78Å; M94-P100 HydrophobicContact SD-CG 4.37Å; P100-Y158 HydrophobicContact CG-CE1 4.38Å; P100-G163 WeakPolarHBondContact O-CA 3.38Å |
| 101 | K | 95.6 | Very high | 93.2 | Very high | 110 Ų | 110 | 67 Ų | 67 | 48% | 0.478 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.4 | 177.4 | -164.9 | 176.4 | -176 | 178.6 | 0 | 110.6 | V92 K93 G162 | V92-K101 WeakPolarHBondContact CA-O 3.37Å; K93-K101 PolarHBondContact N-O 3.3Å; K93-K101 PolarHBondContact O-N 3.31Å; K101-G162 CarbonylContact C-O 3.53Å; K101-G162 VanDerWaalsContact CA-O 3.26Å; K101-G162 WeakPolarHBondContact CA-O 3.18Å; K101-G162 WeakPolarHBondContact CG-O 3Å |
| 102 | F | 97.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 130.7 | 169.9 | -69.4 | -94.7 | 0 | 0 | 0 | 108.9 | L82 P85 M90 E91 V92 E104 P105 Y158 M159 G162 | L82-F102 HydrophobicContact CD1-CE2 4.2Å; L82-F102 HydrophobicContact CD1-CZ 4.46Å; L82-F102 HydrophobicContact CD2-CE2 4.19Å; L82-F102 HydrophobicContact CD2-CZ 4.14Å; P85-F102 HydrophobicContact CB-CE1 3.58Å; P85-F102 HydrophobicContact CB-CZ 3.59Å; P85-F102 HydrophobicContact CG-CZ 4.11Å; M90-F102 HydrophobicContact CB-CD1 3.7Å; M90-F102 HydrophobicContact CB-CE1 3.69Å; M90-F102 HydrophobicContact CE-CB 4.45Å; M90-F102 HydrophobicContact CE-CD1 3.57Å; M90-F102 HydrophobicContact CE-CE1 4.04Å; M90-F102 HydrophobicContact CE-CG 4.15Å; M90-F102 HydrophobicContact CG-CE1 4.47Å; M90-F102 HydrophobicContact SD-CD1 4.09Å; M90-F102 HydrophobicContact SD-CE1 3.96Å; E91-F102 WeakPolarHBondContact O-CA 3.43Å; V92-F102 HydrophobicContact CG2-CD1 3.51Å; V92-F102 HydrophobicContact CG2-CD2 4.37Å; V92-F102 HydrophobicContact CG2-CE1 3.22Å; V92-F102 HydrophobicContact CG2-CE2 4.07Å; V92-F102 HydrophobicContact CG2-CG 4.11Å; V92-F102 HydrophobicContact CG2-CZ 3.52Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-P105 HydrophobicContact CB-CG 4.36Å; F102-Y158 WeakPolarHBondContact CD2-O 3.33Å; F102-M159 HydrophobicContact CE1-CG 4.45Å; F102-M159 HydrophobicContact CZ-CG 4.29Å; F102-G162 PolarHBondContact N-O 3.47Å |
| 103 | T | 96.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.9 | -38.3 | 179.3 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | E91 K93 | E91-T103 WeakPolarHBondContact CB-OG1 3.36Å; E91-T103 HydrophobicContact CG-CG2 4.13Å; E91-T103 PolarHBondContact O-N 3.15Å; E91-T103 VanDerWaalsContact O-N 3.15Å; E91-T103 WeakPolarHBondContact OE2-CB 3.39Å; E91-T103 WeakPolarHBondContact OE2-CG2 3.17Å; E91-T103 PolarHBondContact OE2-OG1 3.22Å; K93-T103 HydrophobicContact CD-CG2 3.75Å; K93-T103 HydrophobicContact CG-CG2 4.03Å |
| 104 | E | 97.3 | Very high | 93.5 | Very high | 126 Ų | 126 | 66.8 Ų | 66.8 | 59% | 0.589 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -127.3 | 92.8 | 175.7 | -66 | 177 | -128.3 | 0 | 0 | 108.9 | M90 F102 R114 | M90-E104 WeakPolarHBondContact CE-O 3.36Å; F102-E104 VanDerWaalsContact C-N 3.32Å; E104-R114 PolarHBondContact O-NH2 2.9Å |
| 105 | P | 98.2 | Very high | 93.9 | Very high | 25 Ų | 25 | 64 Ų | 64 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | trans | -67.1 | 163.6 | 173.5 | -19.8 | 33.8 | 0 | 0 | 0 | 112.3 | F102 N107 R114 M159 G162 | F102-P105 HydrophobicContact CB-CG 4.36Å; P105-N107 PolarHBondContact O-N 3.42Å; P105-N107 PolarHBondContact O-ND2 2.87Å; P105-R114 PolarHBondContact O-NH2 3.48Å; P105-M159 CarbonylContact C-O 3.59Å; P105-M159 WeakPolarHBondContact CA-O 3.43Å; P105-G162 VanDerWaalsContact CG-CA 3.42Å | ||
| 106 | L | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | -78.8 | 103.4 | 171 | -59 | 175.6 | 0 | 0 | 0 | 109.6 | M90 D111 L112 L115 M159 I160 W174 L185 | M90-L106 HydrophobicContact CE-CD2 4.36Å; M90-L106 HydrophobicContact CE-CG 3.97Å; M90-L106 HydrophobicContact SD-CG 4.32Å; L106-D111 HydrophobicContact CB-CB 4.44Å; L106-D111 HydrophobicContact CD2-CB 3.66Å; L106-D111 WeakPolarHBondContact CD2-O 3.22Å; L106-L112 HydrophobicContact CD1-CD2 3.99Å; L106-L115 HydrophobicContact CD1-CD1 4.29Å; L106-L115 HydrophobicContact CD2-CD2 4.27Å; L106-L115 HydrophobicContact CD2-CG 4.47Å; L106-M159 HydrophobicContact CD1-CB 3.93Å; L106-M159 HydrophobicContact CD1-CE 3.98Å; L106-M159 HydrophobicContact CG-CB 4.37Å; L106-M159 PolarHBondContact N-O 3.39Å; L106-I160 HydrophobicContact CB-CG1 4.1Å; L106-W174 HydrophobicContact CB-CH2 4.32Å; L106-W174 HydrophobicContact CB-CZ2 4.34Å; L106-L185 HydrophobicContact CD1-CD2 3.82Å | ||
| 107 | N | 96.5 | Very high | 95 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | trans | -94.6 | -26.8 | -178.2 | -64.9 | -65.7 | 0 | 0 | 0 | 112.9 | P105 D111 | P105-N107 PolarHBondContact O-N 3.42Å; P105-N107 PolarHBondContact O-ND2 2.87Å; N107-D111 WeakPolarHBondContact CA-OD2 3.36Å; N107-D111 PolarHBondContact N-OD2 3.32Å | ||
| 108 | S | 96.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -138.1 | 163 | -179.4 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | N110 D111 W174 | S108-N110 PolarHBondContact O-N 3.12Å; S108-N110 PolarHBondContact OG-N 3.19Å; S108-D111 PolarHBondContact N-OD2 2.89Å; S108-D111 VanDerWaalsContact O-CB 3.31Å; S108-D111 WeakPolarHBondContact O-CB 3.43Å; S108-D111 PolarHBondContact O-N 2.8Å; S108-D111 PolarHBondContact OG-OD1 3.03Å; S108-W174 VanDerWaalsContact C-CZ2 3.4Å; S108-W174 WeakPolarHBondContact O-CH2 3.43Å; S108-W174 WeakPolarHBondContact O-CZ2 3.25Å |
| 109 | V | 95.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.8 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 112 | D111 L112 E178 S181 | V109-D111 PolarHBondContact O-N 3.2Å; V109-L112 HydrophobicContact CG1-CD1 4.36Å; V109-L112 VanDerWaalsContact O-CB 3.28Å; V109-L112 WeakPolarHBondContact O-CB 3.46Å; V109-L112 VanDerWaalsContact O-CG 3.24Å; V109-L112 WeakPolarHBondContact O-CG 3.42Å; V109-L112 PolarHBondContact O-N 3.36Å; V109-L112 VanDerWaalsContact O-N 3.13Å; V109-E178 HydrophobicContact CG2-CB 4.01Å; V109-E178 HydrophobicContact CG2-CG 3.73Å; V109-S181 WeakPolarHBondContact CG1-OG 3.26Å; V109-S181 WeakPolarHBondContact CG2-OG 3.41Å |
| 110 | N | 97.2 | Very high | 96.9 | Very high | 123 Ų | 123 | 63 Ų | 63 | 66% | 0.658 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -65.4 | -24.7 | 178 | -64.5 | -14.7 | 0 | 0 | 0 | 112 | S108 L112 D113 | S108-N110 PolarHBondContact O-N 3.12Å; S108-N110 PolarHBondContact OG-N 3.19Å; N110-L112 PolarHBondContact O-N 3.4Å; N110-L112 VanDerWaalsContact O-N 3.15Å; N110-D113 PolarHBondContact O-N 3.19Å; N110-D113 VanDerWaalsContact O-N 3.14Å |
| 111 | D | 97.9 | Very high | 97.1 | Very high | 41 Ų | 41 | 62 Ų | 62 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -69 | -12.4 | 178.2 | -55.9 | -24.5 | 0 | 0 | 0 | 111.9 | L106 N107 S108 V109 D113 R114 | L106-D111 HydrophobicContact CB-CB 4.44Å; L106-D111 HydrophobicContact CD2-CB 3.66Å; L106-D111 WeakPolarHBondContact CD2-O 3.22Å; N107-D111 WeakPolarHBondContact CA-OD2 3.36Å; N107-D111 PolarHBondContact N-OD2 3.32Å; S108-D111 PolarHBondContact N-OD2 2.89Å; S108-D111 VanDerWaalsContact O-CB 3.31Å; S108-D111 WeakPolarHBondContact O-CB 3.43Å; S108-D111 PolarHBondContact O-N 2.8Å; S108-D111 PolarHBondContact OG-OD1 3.03Å; V109-D111 PolarHBondContact O-N 3.2Å; D111-D113 PolarHBondContact O-N 3.47Å; D111-R114 WeakPolarHBondContact O-CG 3.38Å; D111-R114 PolarHBondContact O-N 2.87Å |
| 112 | L | 97.7 | Very high | 97.1 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -65.1 | -26.8 | 173 | -62.2 | -178.6 | 0 | 0 | 0 | 112.3 | L106 V109 N110 R114 L115 W174 L185 | L106-L112 HydrophobicContact CD1-CD2 3.99Å; V109-L112 HydrophobicContact CG1-CD1 4.36Å; V109-L112 VanDerWaalsContact O-CB 3.28Å; V109-L112 WeakPolarHBondContact O-CB 3.46Å; V109-L112 VanDerWaalsContact O-CG 3.24Å; V109-L112 WeakPolarHBondContact O-CG 3.42Å; V109-L112 PolarHBondContact O-N 3.36Å; V109-L112 VanDerWaalsContact O-N 3.13Å; N110-L112 PolarHBondContact O-N 3.4Å; N110-L112 VanDerWaalsContact O-N 3.15Å; L112-R114 VanDerWaalsContact C-N 3.25Å; L112-R114 PolarHBondContact O-N 3.27Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.28Å; L112-W174 HydrophobicContact CD1-CZ3 4.29Å; L112-W174 HydrophobicContact CD2-CH2 4.13Å; L112-W174 HydrophobicContact CD2-CZ3 4.07Å; L112-W174 HydrophobicContact CG-CH2 4.26Å; L112-W174 HydrophobicContact CG-CZ3 4.29Å; L112-L185 HydrophobicContact CD2-CB 4.11Å; L112-L185 HydrophobicContact CD2-CD1 4.12Å; L112-L185 HydrophobicContact CD2-CD2 3.97Å; L112-L185 HydrophobicContact CD2-CG 4.29Å |
| 113 | D | 96.4 | Very high | 97.2 | Very high | 112 Ų | 112 | 71.2 Ų | 71.2 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -74.1 | -15.9 | -175.7 | -66 | -25.1 | 0 | 0 | 0 | 113 | N110 D111 R184 | N110-D113 PolarHBondContact O-N 3.19Å; N110-D113 VanDerWaalsContact O-N 3.14Å; D111-D113 PolarHBondContact O-N 3.47Å; D113-R184 IonicContact OD1-NH1 2.77Å; D113-R184 IonicContact OD1-NH2 3.16Å |
| 114 | R | 97 | Very high | 97.2 | Very high | 95 Ų | 95 | 72.8 Ų | 72.8 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -84.3 | -9.9 | 172.8 | 85.2 | -162.3 | 163.7 | 93.8 | -7 | 113.5 | E104 P105 D111 L112 | E104-R114 PolarHBondContact O-NH2 2.9Å; P105-R114 PolarHBondContact O-NH2 3.48Å; D111-R114 WeakPolarHBondContact O-CG 3.38Å; D111-R114 PolarHBondContact O-N 2.87Å; L112-R114 VanDerWaalsContact C-N 3.25Å; L112-R114 PolarHBondContact O-N 3.27Å |
| 115 | L | 98.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -73.3 | 133.9 | 176.9 | -60.6 | 178.3 | 0 | 0 | 0 | 109.6 | L88 M90 L106 L112 A117 M159 L185 L188 | L88-L115 HydrophobicContact CB-CD2 4.38Å; L88-L115 WeakPolarHBondContact O-CA 3.46Å; M90-L115 HydrophobicContact CG-CD2 3.68Å; M90-L115 HydrophobicContact SD-CD2 3.95Å; L106-L115 HydrophobicContact CD1-CD1 4.29Å; L106-L115 HydrophobicContact CD2-CD2 4.27Å; L106-L115 HydrophobicContact CD2-CG 4.47Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 3.28Å; L115-A117 PolarHBondContact O-N 3.44Å; L115-M159 HydrophobicContact CD1-CE 3.93Å; L115-M159 HydrophobicContact CD2-CE 3.91Å; L115-L185 HydrophobicContact CD1-CD1 3.84Å; L115-L188 HydrophobicContact CD1-CD2 4.25Å |
| 116 | N | 97.7 | Very high | 97.3 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | trans | -76.1 | 76.7 | 173.6 | -173.5 | 6 | 0 | 0 | 0 | 110.7 | L88 Q118 V119 | L88-N116 WeakPolarHBondContact CD2-O 3.45Å; L88-N116 PolarHBondContact O-N 3.01Å; N116-Q118 PolarHBondContact O-N 3.44Å; N116-Q118 VanDerWaalsContact O-N 3.15Å; N116-Q118 PolarHBondContact OD1-N 3.3Å; N116-V119 HydrophobicContact CB-CB 4.27Å; N116-V119 VanDerWaalsContact O-CB 3.31Å; N116-V119 WeakPolarHBondContact O-CB 3.23Å; N116-V119 VanDerWaalsContact O-CG1 3.3Å; N116-V119 WeakPolarHBondContact O-CG1 3.24Å; N116-V119 PolarHBondContact O-N 3.25Å; N116-V119 PolarHBondContact OD1-N 2.92Å | ||
| 117 | A | 96.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 69.8 Ų | 69.8 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L115 V119 L188 K192 | L115-A117 PolarHBondContact O-N 3.44Å; A117-V119 VanDerWaalsContact C-N 3.32Å; A117-L188 HydrophobicContact CB-CD1 3.97Å; A117-L188 HydrophobicContact CB-CD2 4.15Å; A117-K192 WeakPolarHBondContact O-CE 3.38Å |
| 118 | Q | 97.1 | Very high | 97.4 | Very high | 173 Ų | 173 | 64.7 Ų | 64.7 | 81% | 0.808 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 11.6 | 179.8 | -59 | -57 | -43.8 | 0 | 0 | 113.1 | N116 D120 | N116-Q118 PolarHBondContact O-N 3.44Å; N116-Q118 VanDerWaalsContact O-N 3.15Å; N116-Q118 PolarHBondContact OD1-N 3.3Å; Q118-D120 PolarHBondContact O-N 3.5Å |
| 119 | V | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | trans | -56.4 | 132.1 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | A87 L88 N116 A117 V121 E124 K192 | A87-V119 HydrophobicContact CB-CG2 4.46Å; A87-V119 VanDerWaalsContact O-CG2 3.32Å; A87-V119 WeakPolarHBondContact O-CG2 3.31Å; L88-V119 HydrophobicContact CD2-CG1 3.92Å; N116-V119 HydrophobicContact CB-CB 4.27Å; N116-V119 VanDerWaalsContact O-CB 3.31Å; N116-V119 WeakPolarHBondContact O-CB 3.23Å; N116-V119 VanDerWaalsContact O-CG1 3.3Å; N116-V119 WeakPolarHBondContact O-CG1 3.24Å; N116-V119 PolarHBondContact O-N 3.25Å; N116-V119 PolarHBondContact OD1-N 2.92Å; A117-V119 VanDerWaalsContact C-N 3.32Å; V119-V121 HydrophobicContact CG1-CG2 4.32Å; V119-V121 PolarHBondContact O-N 3.37Å; V119-E124 HydrophobicContact CG2-CB 4.06Å; V119-E124 HydrophobicContact CG2-CG 3.3Å; V119-K192 HydrophobicContact CG1-CD 3.89Å; V119-K192 PolarHBondContact O-NZ 2.95Å | ||
| 120 | D | 97.7 | Very high | 97.6 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | trans | -78.4 | 99.6 | 166.4 | -178.9 | -6.7 | 0 | 0 | 0 | 108.9 | Q118 R122 K123 E124 | Q118-D120 PolarHBondContact O-N 3.5Å; D120-R122 PolarHBondContact O-N 2.9Å; D120-R122 WeakPolarHBondContact OD1-CA 3.43Å; D120-R122 VanDerWaalsContact OD1-CB 3.24Å; D120-R122 WeakPolarHBondContact OD1-CB 3.5Å; D120-R122 PolarHBondContact OD1-N 3.49Å; D120-K123 HydrophobicContact CB-CB 4.08Å; D120-K123 PolarHBondContact O-N 2.99Å; D120-K123 PolarHBondContact OD1-N 2.76Å; D120-E124 PolarHBondContact O-N 3.45Å | ||
| 121 | V | 95.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -33.2 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | V119 K123 L125 K192 E195 H196 | V119-V121 HydrophobicContact CG1-CG2 4.32Å; V119-V121 PolarHBondContact O-N 3.37Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.17Å; V121-L125 HydrophobicContact CG1-CB 4.49Å; V121-L125 HydrophobicContact CG1-CD1 3.69Å; V121-L125 HydrophobicContact CG1-CG 4.14Å; V121-L125 VanDerWaalsContact O-CB 3.31Å; V121-L125 WeakPolarHBondContact O-CB 3.38Å; V121-L125 PolarHBondContact O-N 2.69Å; V121-K192 HydrophobicContact CG2-CB 4.11Å; V121-K192 HydrophobicContact CG2-CD 3.26Å; V121-K192 HydrophobicContact CG2-CG 4.24Å; V121-E195 HydrophobicContact CB-CB 4.24Å; V121-E195 HydrophobicContact CG2-CB 4.35Å; V121-E195 VanDerWaalsContact CG2-OE2 3.27Å; V121-E195 WeakPolarHBondContact CG2-OE2 3.36Å; V121-H196 HydrophobicContact CG1-CB 3.93Å |
| 122 | R | 95.8 | Very high | 97.7 | Very high | 154 Ų | 154 | 57.9 Ų | 57.9 | 58% | 0.581 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.1 | -45.2 | 178.6 | -175.7 | 179.7 | 174.1 | -172.6 | -2.4 | 110.6 | D120 N126 Q199 | D120-R122 PolarHBondContact O-N 2.9Å; D120-R122 WeakPolarHBondContact OD1-CA 3.43Å; D120-R122 VanDerWaalsContact OD1-CB 3.24Å; D120-R122 WeakPolarHBondContact OD1-CB 3.5Å; D120-R122 PolarHBondContact OD1-N 3.49Å; R122-N126 WeakPolarHBondContact O-CA 3.38Å; R122-N126 WeakPolarHBondContact O-CB 3.07Å; R122-N126 PolarHBondContact O-N 3.37Å; R122-Q199 HydrophobicContact CB-CG 4.2Å; R122-Q199 HydrophobicContact CG-CG 4.27Å |
| 123 | K | 97.9 | Very high | 97.7 | Very high | 152 Ų | 152 | 59.3 Ų | 59.3 | 66% | 0.661 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.3 | -51.7 | 179.7 | -175.8 | -176.8 | 173.6 | -170.8 | 0 | 111.6 | D120 V121 L125 N126 | D120-K123 HydrophobicContact CB-CB 4.08Å; D120-K123 PolarHBondContact O-N 2.99Å; D120-K123 PolarHBondContact OD1-N 2.76Å; V121-K123 VanDerWaalsContact C-N 3.33Å; V121-K123 PolarHBondContact O-N 3.17Å; K123-L125 PolarHBondContact O-N 3.27Å; K123-N126 WeakPolarHBondContact O-CB 3.31Å; K123-N126 PolarHBondContact O-N 2.86Å |
| 124 | E | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 43% | 0.425 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.1 | -32 | -174.4 | -71.8 | -54.1 | 136.1 | 0 | 0 | 113.3 | A87 V119 D120 Y127 | A87-E124 HydrophobicContact CB-CB 4.02Å; V119-E124 HydrophobicContact CG2-CB 4.06Å; V119-E124 HydrophobicContact CG2-CG 3.3Å; D120-E124 PolarHBondContact O-N 3.45Å; E124-Y127 WeakPolarHBondContact O-CE1 3.33Å |
| 125 | L | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 19 | 179.7 | -56.8 | -173.1 | 0 | 0 | 0 | 113.2 | V83 I84 A87 V121 K123 Y127 V128 Y129 H196 | V83-L125 HydrophobicContact CB-CD1 4.46Å; V83-L125 HydrophobicContact CB-CD2 3.9Å; V83-L125 HydrophobicContact CG2-CD1 3.97Å; V83-L125 HydrophobicContact CG2-CD2 4.28Å; I84-L125 HydrophobicContact CG1-CD1 4.29Å; A87-L125 HydrophobicContact CB-CD2 3.99Å; A87-L125 HydrophobicContact CB-CG 4.16Å; V121-L125 HydrophobicContact CG1-CB 4.49Å; V121-L125 HydrophobicContact CG1-CD1 3.69Å; V121-L125 HydrophobicContact CG1-CG 4.14Å; V121-L125 VanDerWaalsContact O-CB 3.31Å; V121-L125 WeakPolarHBondContact O-CB 3.38Å; V121-L125 PolarHBondContact O-N 2.69Å; K123-L125 PolarHBondContact O-N 3.27Å; L125-Y127 HydrophobicContact CD2-CE1 3.96Å; L125-Y127 WeakPolarHBondContact CD2-OH 2.91Å; L125-Y127 PolarHBondContact O-N 2.87Å; L125-Y127 VanDerWaalsContact O-N 3.13Å; L125-V128 HydrophobicContact CB-CG2 4.33Å; L125-V128 WeakPolarHBondContact O-CB 3.28Å; L125-V128 PolarHBondContact O-N 3.46Å; L125-Y129 HydrophobicContact CB-CE2 3.97Å; L125-Y129 WeakPolarHBondContact O-CD2 3.19Å; L125-Y129 WeakPolarHBondContact O-CE2 3.45Å; L125-H196 WeakPolarHBondContact CD1-ND1 3.15Å |
| 126 | N | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.4 | -35.1 | -178.6 | -172.6 | 62.8 | 0 | 0 | 0 | 113.2 | R122 K123 V128 Y129 E130 | R122-N126 WeakPolarHBondContact O-CA 3.38Å; R122-N126 WeakPolarHBondContact O-CB 3.07Å; R122-N126 PolarHBondContact O-N 3.37Å; K123-N126 WeakPolarHBondContact O-CB 3.31Å; K123-N126 PolarHBondContact O-N 2.86Å; N126-V128 PolarHBondContact O-N 2.89Å; N126-Y129 WeakPolarHBondContact O-CB 3.37Å; N126-Y129 PolarHBondContact O-N 3.32Å; N126-E130 PolarHBondContact ND2-OE1 3.36Å; N126-E130 WeakPolarHBondContact O-CG 3.31Å; N126-E130 PolarHBondContact O-N 3.09Å |
| 127 | Y | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -33.6 | 175.7 | 63 | -97.3 | 0 | 0 | 0 | 113.1 | C53 R54 V83 E124 L125 S131 | C53-Y127 WeakPolarHBondContact O-CD2 3.48Å; R54-Y127 HydrophobicContact CB-CD2 4.35Å; R54-Y127 HydrophobicContact CB-CG 4.41Å; R54-Y127 HydrophobicContact CG-CD1 4.27Å; R54-Y127 HydrophobicContact CG-CD2 4.07Å; R54-Y127 HydrophobicContact CG-CE1 4.16Å; R54-Y127 HydrophobicContact CG-CE2 3.92Å; R54-Y127 HydrophobicContact CG-CG 4.23Å; V83-Y127 HydrophobicContact CG1-CE2 4.48Å; V83-Y127 WeakPolarHBondContact CG1-OH 3.4Å; E124-Y127 WeakPolarHBondContact O-CE1 3.33Å; L125-Y127 HydrophobicContact CD2-CE1 3.96Å; L125-Y127 WeakPolarHBondContact CD2-OH 2.91Å; L125-Y127 PolarHBondContact O-N 2.87Å; L125-Y127 VanDerWaalsContact O-N 3.13Å; Y127-S131 WeakPolarHBondContact O-CB 3.37Å; Y127-S131 PolarHBondContact O-N 3.32Å; Y127-S131 PolarHBondContact O-OG 3.06Å |
| 128 | V | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 110 | L125 N126 S131 I132 | L125-V128 HydrophobicContact CB-CG2 4.33Å; L125-V128 WeakPolarHBondContact O-CB 3.28Å; L125-V128 PolarHBondContact O-N 3.46Å; N126-V128 PolarHBondContact O-N 2.89Å; V128-S131 WeakPolarHBondContact O-CB 3.24Å; V128-S131 PolarHBondContact O-N 3.19Å; V128-I132 HydrophobicContact CG1-CD1 4.14Å; V128-I132 VanDerWaalsContact O-CG1 3.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.45Å; V128-I132 PolarHBondContact O-N 3.29Å |
| 129 | Y | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | -178.5 | -55.6 | -35.5 | 0 | 0 | 0 | 111.9 | L125 N126 S131 I132 T133 H196 Q199 Q200 S203 | L125-Y129 HydrophobicContact CB-CE2 3.97Å; L125-Y129 WeakPolarHBondContact O-CD2 3.19Å; L125-Y129 WeakPolarHBondContact O-CE2 3.45Å; N126-Y129 WeakPolarHBondContact O-CB 3.37Å; N126-Y129 PolarHBondContact O-N 3.32Å; Y129-S131 VanDerWaalsContact C-N 3.33Å; Y129-S131 PolarHBondContact O-N 2.86Å; Y129-I132 PolarHBondContact O-N 2.81Å; Y129-T133 PolarHBondContact O-N 2.84Å; Y129-T133 PolarHBondContact O-OG1 3.38Å; Y129-H196 AromaticContact CE1-CE1 3.91Å; Y129-H196 AromaticContact CE1-ND1 3.59Å; Y129-H196 AromaticContact CZ-ND1 3.57Å; Y129-H196 PolarHBondContact OH-ND1 3.27Å; Y129-Q199 HydrophobicContact CD1-CB 3.8Å; Y129-Q199 HydrophobicContact CD2-CB 4.14Å; Y129-Q199 HydrophobicContact CE1-CB 3.28Å; Y129-Q199 HydrophobicContact CE1-CG 4.42Å; Y129-Q199 HydrophobicContact CE2-CB 3.77Å; Y129-Q199 HydrophobicContact CE2-CG 4.16Å; Y129-Q199 HydrophobicContact CG-CB 4.21Å; Y129-Q199 WeakPolarHBondContact OH-CB 3.34Å; Y129-Q200 HydrophobicContact CD1-CG 4.29Å; Y129-Q200 HydrophobicContact CE1-CG 3.97Å; Y129-S203 VanDerWaalsContact CB-OG 3.23Å; Y129-S203 WeakPolarHBondContact CB-OG 3.44Å |
| 130 | E | 98.5 | Very high | 98.2 | Very high | 97 Ų | 97 | 54.6 Ų | 54.6 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 170.9 | -71.7 | 176.4 | 168.2 | 0 | 0 | 111.4 | P56 N126 I132 T133 L134 | P56-E130 HydrophobicContact CB-CB 4.14Å; P56-E130 HydrophobicContact CG-CB 3.66Å; N126-E130 PolarHBondContact ND2-OE1 3.36Å; N126-E130 WeakPolarHBondContact O-CG 3.31Å; N126-E130 PolarHBondContact O-N 3.09Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 3.39Å; E130-T133 PolarHBondContact O-N 3.38Å; E130-L134 VanDerWaalsContact O-CB 3.29Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 PolarHBondContact O-N 3.36Å |
| 131 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.1 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | P56 Y127 V128 Y129 T135 | P56-S131 WeakPolarHBondContact CA-OG 3.45Å; Y127-S131 WeakPolarHBondContact O-CB 3.37Å; Y127-S131 PolarHBondContact O-N 3.32Å; Y127-S131 PolarHBondContact O-OG 3.06Å; V128-S131 WeakPolarHBondContact O-CB 3.24Å; V128-S131 PolarHBondContact O-N 3.19Å; Y129-S131 VanDerWaalsContact C-N 3.33Å; Y129-S131 PolarHBondContact O-N 2.86Å; S131-T135 WeakPolarHBondContact O-CB 3.49Å; S131-T135 PolarHBondContact O-N 3.49Å; S131-T135 PolarHBondContact O-OG1 3.1Å |
| 132 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -48.5 | 177.8 | -68.3 | 169.8 | 0 | 0 | 0 | 110.6 | I77 V128 Y129 E130 L134 T135 R136 L145 Q200 S203 A205 | I77-I132 HydrophobicContact CB-CG1 4.13Å; I77-I132 HydrophobicContact CD1-CG1 4.12Å; I77-I132 HydrophobicContact CG1-CG1 3.74Å; I77-I132 HydrophobicContact CG2-CD1 4.46Å; I77-I132 HydrophobicContact CG2-CG1 4.25Å; V128-I132 HydrophobicContact CG1-CD1 4.14Å; V128-I132 VanDerWaalsContact O-CG1 3.32Å; V128-I132 WeakPolarHBondContact O-CG1 3.45Å; V128-I132 PolarHBondContact O-N 3.29Å; Y129-I132 PolarHBondContact O-N 2.81Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 3.39Å; I132-L134 PolarHBondContact O-N 3.18Å; I132-T135 PolarHBondContact O-N 2.87Å; I132-R136 VanDerWaalsContact O-CB 3.28Å; I132-R136 WeakPolarHBondContact O-CB 3.24Å; I132-R136 PolarHBondContact O-N 3.49Å; I132-L145 HydrophobicContact CB-CD2 4.39Å; I132-L145 HydrophobicContact CG2-CD2 3.8Å; I132-L145 WeakPolarHBondContact O-CD2 3.33Å; I132-Q200 HydrophobicContact CD1-CB 3.59Å; I132-Q200 HydrophobicContact CD1-CG 3.41Å; I132-Q200 VanDerWaalsContact CD1-CG 3.41Å; I132-S203 WeakPolarHBondContact CG2-O 3.33Å; I132-A205 HydrophobicContact CG2-CB 4.41Å |
| 133 | T | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 179.3 | -69.8 | 0 | 0 | 0 | 0 | 110.9 | F5 Y129 E130 T135 R136 Y137 S203 | F5-T133 HydrophobicContact CE1-CG2 4.17Å; F5-T133 HydrophobicContact CZ-CG2 4.42Å; Y129-T133 PolarHBondContact O-N 2.84Å; Y129-T133 PolarHBondContact O-OG1 3.38Å; E130-T133 PolarHBondContact O-N 3.38Å; T133-T135 PolarHBondContact O-N 3.27Å; T133-R136 PolarHBondContact O-N 3.11Å; T133-Y137 HydrophobicContact CG2-CD2 3.95Å; T133-Y137 HydrophobicContact CG2-CE2 3.81Å; T133-Y137 VanDerWaalsContact O-CD2 3.24Å; T133-Y137 WeakPolarHBondContact O-CD2 3.18Å; T133-Y137 PolarHBondContact O-N 3.05Å; T133-Y137 VanDerWaalsContact O-N 3.1Å; T133-S203 VanDerWaalsContact CA-O 3.24Å; T133-S203 WeakPolarHBondContact CA-O 3.41Å; T133-S203 PolarHBondContact N-O 2.7Å; T133-S203 PolarHBondContact OG1-O 2.95Å |
| 134 | L | 98.7 | Very high | 98.5 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 177.8 | 178.3 | 59.7 | 0 | 0 | 0 | 111.3 | P56 E57 C60 E130 I132 R136 Y137 R138 | P56-L134 HydrophobicContact CB-CD2 4.21Å; E57-L134 HydrophobicContact CG-CD2 4.14Å; C60-L134 HydrophobicContact CB-CD2 3.9Å; C60-L134 HydrophobicContact CB-CG 4.06Å; E130-L134 VanDerWaalsContact O-CB 3.29Å; E130-L134 WeakPolarHBondContact O-CB 3.3Å; E130-L134 PolarHBondContact O-N 3.36Å; I132-L134 PolarHBondContact O-N 3.18Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.92Å; L134-Y137 PolarHBondContact O-N 3.31Å; L134-R138 HydrophobicContact CD1-CG 4.03Å; L134-R138 HydrophobicContact CG-CG 4.37Å; L134-R138 WeakPolarHBondContact O-CB 3.5Å; L134-R138 VanDerWaalsContact O-CG 3.3Å; L134-R138 WeakPolarHBondContact O-CG 3.28Å; L134-R138 PolarHBondContact O-N 3.33Å |
| 135 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | C60 T63 I77 S131 I132 T133 Y137 R138 L139 L145 | C60-T135 WeakPolarHBondContact CA-OG1 3.34Å; C60-T135 WeakPolarHBondContact CB-OG1 3.27Å; C60-T135 PolarHBondContact SG-OG1 2.99Å; T63-T135 HydrophobicContact CG2-CG2 3.66Å; I77-T135 HydrophobicContact CD1-CG2 4.43Å; S131-T135 WeakPolarHBondContact O-CB 3.49Å; S131-T135 PolarHBondContact O-N 3.49Å; S131-T135 PolarHBondContact O-OG1 3.1Å; I132-T135 PolarHBondContact O-N 2.87Å; T133-T135 PolarHBondContact O-N 3.27Å; T135-Y137 VanDerWaalsContact C-N 3.33Å; T135-Y137 PolarHBondContact O-N 3.47Å; T135-R138 PolarHBondContact O-N 3.16Å; T135-L139 HydrophobicContact CG2-CD1 4.04Å; T135-L139 HydrophobicContact CG2-CG 4.25Å; T135-L139 WeakPolarHBondContact O-CB 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.37Å; T135-L139 PolarHBondContact O-N 3.22Å; T135-L145 HydrophobicContact CG2-CD1 3.92Å; T135-L145 HydrophobicContact CG2-CD2 3.99Å |
| 136 | R | 98.6 | Very high | 98.6 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.8 | -177 | 60.9 | -173.9 | -81.9 | -0.6 | 111.9 | F5 I132 T133 L134 L145 G204 | F5-R136 HydrophobicContact CB-CG 4.08Å; F5-R136 HydrophobicContact CD1-CB 3.91Å; F5-R136 HydrophobicContact CD1-CG 3.32Å; F5-R136 HydrophobicContact CD2-CG 4.21Å; F5-R136 HydrophobicContact CE1-CB 3.83Å; F5-R136 HydrophobicContact CE1-CG 3.67Å; F5-R136 HydrophobicContact CE2-CG 4.49Å; F5-R136 HydrophobicContact CG-CG 3.61Å; F5-R136 HydrophobicContact CZ-CB 4.49Å; F5-R136 HydrophobicContact CZ-CG 4.25Å; I132-R136 VanDerWaalsContact O-CB 3.28Å; I132-R136 WeakPolarHBondContact O-CB 3.24Å; I132-R136 PolarHBondContact O-N 3.49Å; T133-R136 PolarHBondContact O-N 3.11Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-R136 PolarHBondContact O-N 2.92Å; R136-L145 HydrophobicContact CB-CD2 4.23Å; R136-G204 PolarHBondContact NH1-O 3.49Å |
| 137 | Y | 98.4 | Very high | 98.6 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 38% | 0.38 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.4 | -81.2 | -65.6 | 0 | 0 | 0 | 112.3 | F5 P6 T133 L134 T135 L139 N140 | F5-Y137 HydrophobicContact CD1-CD1 4.31Å; F5-Y137 HydrophobicContact CD1-CD2 4.11Å; F5-Y137 HydrophobicContact CD1-CE1 4.06Å; F5-Y137 AromaticContact CD1-CE2 3.85Å; F5-Y137 HydrophobicContact CD1-CE2 3.85Å; F5-Y137 HydrophobicContact CD1-CG 4.32Å; F5-Y137 AromaticContact CD1-CZ 3.82Å; F5-Y137 AromaticContact CE1-CD2 3.91Å; F5-Y137 HydrophobicContact CE1-CD2 3.91Å; F5-Y137 AromaticContact CE1-CE2 3.6Å; F5-Y137 HydrophobicContact CE1-CE2 3.6Å; F5-Y137 AromaticContact CE1-CZ 4Å; P6-Y137 HydrophobicContact CG-CD1 4.28Å; T133-Y137 HydrophobicContact CG2-CD2 3.95Å; T133-Y137 HydrophobicContact CG2-CE2 3.81Å; T133-Y137 VanDerWaalsContact O-CD2 3.24Å; T133-Y137 WeakPolarHBondContact O-CD2 3.18Å; T133-Y137 PolarHBondContact O-N 3.05Å; T133-Y137 VanDerWaalsContact O-N 3.1Å; L134-Y137 PolarHBondContact O-N 3.31Å; T135-Y137 VanDerWaalsContact C-N 3.33Å; T135-Y137 PolarHBondContact O-N 3.47Å; Y137-L139 PolarHBondContact O-N 2.85Å; Y137-N140 WeakPolarHBondContact O-CA 3.49Å; Y137-N140 PolarHBondContact O-N 3.3Å |
| 138 | R | 98.5 | Very high | 98.6 | Very high | 162 Ų | 162 | 32.5 Ų | 32.5 | 61% | 0.611 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -70.8 | -27.3 | -177.8 | -67.9 | -67.7 | -167.6 | 126.7 | 3.9 | 114.1 | L64 L134 T135 N140 | L64-R138 HydrophobicContact CD1-CB 3.83Å; L134-R138 HydrophobicContact CD1-CG 4.03Å; L134-R138 HydrophobicContact CG-CG 4.37Å; L134-R138 WeakPolarHBondContact O-CB 3.5Å; L134-R138 VanDerWaalsContact O-CG 3.3Å; L134-R138 WeakPolarHBondContact O-CG 3.28Å; L134-R138 PolarHBondContact O-N 3.33Å; T135-R138 PolarHBondContact O-N 3.16Å; R138-N140 PolarHBondContact O-N 2.96Å |
| 139 | L | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -24.5 | 168.6 | -80.1 | 168.4 | 0 | 0 | 0 | 111.6 | L64 I67 A75 T135 Y137 G141 R142 V143 L145 | L64-L139 HydrophobicContact CD2-CD2 3.61Å; L64-L139 HydrophobicContact CD2-CG 3.93Å; I67-L139 HydrophobicContact CG1-CD2 4.34Å; I67-L139 HydrophobicContact CG2-CD2 4.09Å; A75-L139 HydrophobicContact CB-CD1 3.84Å; A75-L139 HydrophobicContact CB-CD2 4.04Å; T135-L139 HydrophobicContact CG2-CD1 4.04Å; T135-L139 HydrophobicContact CG2-CG 4.25Å; T135-L139 WeakPolarHBondContact O-CB 3.29Å; T135-L139 WeakPolarHBondContact O-CG 3.37Å; T135-L139 PolarHBondContact O-N 3.22Å; Y137-L139 PolarHBondContact O-N 2.85Å; L139-G141 PolarHBondContact O-N 3.43Å; L139-R142 VanDerWaalsContact O-CB 3.26Å; L139-R142 WeakPolarHBondContact O-CB 3.49Å; L139-R142 WeakPolarHBondContact O-CG 3.47Å; L139-R142 PolarHBondContact O-N 2.68Å; L139-R142 PolarHBondContact O-NE 2.91Å; L139-V143 HydrophobicContact CD2-CG2 4Å; L139-L145 HydrophobicContact CD1-CB 3.95Å; L139-L145 HydrophobicContact CD1-CD1 4.21Å; L139-L145 HydrophobicContact CD1-CG 4.49Å |
| 140 | N | 98.1 | Very high | 98.7 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 48% | 0.481 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 42.8 | 178.2 | -166.6 | 25.8 | 0 | 0 | 0 | 112.8 | Y137 R138 R142 | Y137-N140 WeakPolarHBondContact O-CA 3.49Å; Y137-N140 PolarHBondContact O-N 3.3Å; R138-N140 PolarHBondContact O-N 2.96Å; N140-R142 PolarHBondContact O-N 3.27Å; N140-R142 VanDerWaalsContact O-N 3.15Å |
| 141 | G | 98.2 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 5.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T7 L8 K9 L139 V143 | T7-G141 WeakPolarHBondContact O-CA 3.32Å; L8-G141 CarbonylContact C-O 3.57Å; L8-G141 WeakPolarHBondContact CA-O 3.47Å; K9-G141 WeakPolarHBondContact CB-O 3.31Å; K9-G141 PolarHBondContact N-O 3.47Å; L139-G141 PolarHBondContact O-N 3.43Å; G141-V143 PolarHBondContact O-N 2.92Å |
| 142 | R | 98.5 | Very high | 98.7 | Very high | 87 Ų | 87 | 27.5 Ų | 27.5 | 33% | 0.328 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -53.1 | -53.1 | -178.1 | -76.7 | -177.6 | -68.1 | 171.6 | -1 | 112 | N10 N68 L139 N140 | N10-R142 VanDerWaalsContact CB-O 3.32Å; N10-R142 WeakPolarHBondContact CB-O 3.46Å; N10-R142 PolarHBondContact N-O 3.34Å; N68-R142 PolarHBondContact OD1-NH1 2.82Å; L139-R142 VanDerWaalsContact O-CB 3.26Å; L139-R142 WeakPolarHBondContact O-CB 3.49Å; L139-R142 WeakPolarHBondContact O-CG 3.47Å; L139-R142 PolarHBondContact O-N 2.68Å; L139-R142 PolarHBondContact O-NE 2.91Å; N140-R142 PolarHBondContact O-N 3.27Å; N140-R142 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -146.4 | 161.5 | -178.7 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | L8 N10 I67 L72 A75 L139 G141 | L8-V143 VanDerWaalsContact CD1-C 3.49Å; N10-V143 HydrophobicContact CB-CG1 4.32Å; I67-V143 HydrophobicContact CD1-CG2 4.15Å; I67-V143 HydrophobicContact CG2-CG2 4.36Å; L72-V143 WeakPolarHBondContact O-CG1 3.27Å; A75-V143 HydrophobicContact CB-CG2 4.33Å; L139-V143 HydrophobicContact CD2-CG2 4Å; G141-V143 PolarHBondContact O-N 2.92Å |
| 144 | P | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 150.2 | 177.7 | -24.3 | 39.8 | 0 | 0 | 0 | 112.6 | L8 N10 I13 I14 D73 A75 Q206 L207 | L8-P144 HydrophobicContact CD1-CG 3.84Å; L8-P144 HydrophobicContact CD2-CG 3.82Å; L8-P144 HydrophobicContact CG-CG 4.44Å; N10-P144 WeakPolarHBondContact O-CD 3.39Å; I13-P144 HydrophobicContact CG2-CB 4.11Å; I13-P144 HydrophobicContact CG2-CG 3.59Å; I14-P144 HydrophobicContact CD1-CB 4.06Å; I14-P144 HydrophobicContact CD1-CG 3.81Å; I14-P144 HydrophobicContact CG1-CB 4.24Å; I14-P144 HydrophobicContact CG1-CG 3.94Å; D73-P144 VanDerWaalsContact O-CD 3.28Å; D73-P144 WeakPolarHBondContact O-CD 3.24Å; A75-P144 PolarHBondContact N-O 3.26Å; P144-Q206 VanDerWaalsContact CA-OE1 3.31Å; P144-Q206 HydrophobicContact CB-CB 4Å; P144-L207 HydrophobicContact CB-CD1 3.56Å; P144-L207 HydrophobicContact CG-CD1 4.4Å |
| 145 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.4 | 172.6 | -177 | 59.5 | 0 | 0 | 0 | 110.9 | T63 A75 I77 I132 T135 R136 L139 Q206 L207 | T63-L145 HydrophobicContact CG2-CD1 4.3Å; A75-L145 HydrophobicContact CB-CD1 3.97Å; A75-L145 CarbonylContact O-C 3.53Å; A75-L145 WeakPolarHBondContact O-CA 3.39Å; I77-L145 HydrophobicContact CB-CD1 4.2Å; I132-L145 HydrophobicContact CB-CD2 4.39Å; I132-L145 HydrophobicContact CG2-CD2 3.8Å; I132-L145 WeakPolarHBondContact O-CD2 3.33Å; T135-L145 HydrophobicContact CG2-CD1 3.92Å; T135-L145 HydrophobicContact CG2-CD2 3.99Å; R136-L145 HydrophobicContact CB-CD2 4.23Å; L139-L145 HydrophobicContact CD1-CB 3.95Å; L139-L145 HydrophobicContact CD1-CD1 4.21Å; L139-L145 HydrophobicContact CD1-CG 4.49Å; L145-Q206 PolarHBondContact O-N 2.98Å; L145-L207 PolarHBondContact O-N 2.66Å |
| 146 | I | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.9 | 174.9 | -54 | 173.3 | 0 | 0 | 0 | 108.4 | I13 W28 A74 A75 I76 I77 L207 Q209 | I13-I146 HydrophobicContact CD1-CD1 4.32Å; W28-I146 HydrophobicContact CD2-CD1 3.63Å; W28-I146 HydrophobicContact CE3-CD1 3.92Å; W28-I146 HydrophobicContact CG-CD1 4.17Å; W28-I146 HydrophobicContact CH2-CD1 4.04Å; W28-I146 HydrophobicContact CZ2-CD1 3.75Å; W28-I146 HydrophobicContact CZ3-CD1 4.12Å; A74-I146 HydrophobicContact CB-CD1 3.73Å; A74-I146 HydrophobicContact CB-CG1 4.09Å; A75-I146 WeakPolarHBondContact O-CB 3.13Å; A75-I146 WeakPolarHBondContact O-CG1 3.29Å; A75-I146 PolarHBondContact O-N 2.9Å; I76-I146 HydrophobicContact CB-CB 4.05Å; I76-I146 HydrophobicContact CD1-CG2 4.16Å; I76-I146 HydrophobicContact CG1-CB 4.07Å; I76-I146 HydrophobicContact CG1-CG2 4.14Å; I77-I146 PolarHBondContact N-O 3.05Å; I146-L207 WeakPolarHBondContact CA-O 3.35Å; I146-L207 HydrophobicContact CG1-CB 4.15Å; I146-L207 HydrophobicContact CG1-CD1 4.27Å; I146-L207 HydrophobicContact CG2-CB 4.48Å; I146-Q209 HydrophobicContact CG2-CB 4.3Å |
| 147 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 161.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q200 L207 L208 Q209 | G147-Q200 VanDerWaalsContact C-OE1 3.28Å; G147-L207 PolarHBondContact N-O 3.32Å; G147-L208 CarbonylContact O-C 3.59Å; G147-L208 VanDerWaalsContact O-CA 3.29Å; G147-L208 WeakPolarHBondContact O-CA 3.24Å; G147-Q209 PolarHBondContact O-N 3.3Å |
| 148 | F | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 19 Ų | 19 | 8% | 0.083 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 161.6 | 180 | 76.8 | -81.1 | 0 | 0 | 0 | 115.2 | I76 I77 I81 Q200 Q209 F211 | I76-F148 HydrophobicContact CD1-CB 4.41Å; I76-F148 HydrophobicContact CD1-CD1 4.05Å; I76-F148 HydrophobicContact CD1-CG 4.34Å; I76-F148 HydrophobicContact CG1-CD1 4.02Å; I77-F148 HydrophobicContact CG2-CD1 3.93Å; I77-F148 HydrophobicContact CG2-CE1 3.99Å; I77-F148 VanDerWaalsContact O-CE1 3.26Å; I77-F148 WeakPolarHBondContact O-CE1 3.42Å; I81-F148 HydrophobicContact CG2-CD2 3.97Å; I81-F148 HydrophobicContact CG2-CE2 3.66Å; F148-Q200 PolarHBondContact O-NE2 2.83Å; F148-Q209 CarbonylContact C-O 3.48Å; F148-Q209 WeakPolarHBondContact CA-O 3.4Å; F148-Q209 HydrophobicContact CB-CB 4.36Å; F148-Q209 VanDerWaalsContact CB-O 3.26Å; F148-Q209 WeakPolarHBondContact CB-O 3.36Å; F148-F211 HydrophobicContact CB-CD2 3.94Å; F148-F211 HydrophobicContact CB-CE2 3.55Å; F148-F211 AromaticContact CD2-CD2 3.75Å; F148-F211 HydrophobicContact CD2-CD2 3.75Å; F148-F211 AromaticContact CD2-CE2 3.67Å; F148-F211 HydrophobicContact CD2-CE2 3.67Å; F148-F211 HydrophobicContact CG-CD2 4.21Å; F148-F211 AromaticContact CG-CE2 3.79Å; F148-F211 HydrophobicContact CG-CE2 3.79Å |
| 149 | A | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I84 V193 L197 Q209 F211 | I84-A149 HydrophobicContact CD1-CB 4.34Å; A149-V193 HydrophobicContact CB-CG1 3.99Å; A149-L197 HydrophobicContact CB-CD2 3.83Å; A149-L197 HydrophobicContact CB-CG 4.11Å; A149-Q209 PolarHBondContact N-O 3.2Å; A149-F211 PolarHBondContact O-N 3.02Å |
| 150 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 143.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L155 V193 | G150-L155 WeakPolarHBondContact O-CD1 3.46Å; G150-V193 WeakPolarHBondContact O-CG2 3.36Å |
| 151 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -73.5 | 154.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W153 T154 L155 V210 F211 E212 L231 | A151-W153 PolarHBondContact O-N 3.12Å; A151-T154 PolarHBondContact O-N 3.47Å; A151-L155 WeakPolarHBondContact O-CG 3.38Å; A151-L155 PolarHBondContact O-N 3.48Å; A151-V210 HydrophobicContact CB-CG1 3.71Å; A151-F211 WeakPolarHBondContact CB-O 3.31Å; A151-F211 PolarHBondContact N-O 3.3Å; A151-E212 HydrophobicContact CB-CB 3.66Å; A151-E212 HydrophobicContact CB-CG 4.11Å; A151-E212 WeakPolarHBondContact CB-OE2 3.5Å; A151-L231 HydrophobicContact CB-CD2 3.87Å | ||
| 152 | P | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55.7 | -41.4 | -173.8 | -31 | 39.1 | 0 | 0 | 0 | 115 | L155 M156 L186 L189 T190 I234 | P152-L155 PolarHBondContact O-N 3.01Å; P152-M156 VanDerWaalsContact O-CB 3.23Å; P152-M156 WeakPolarHBondContact O-CB 3.4Å; P152-M156 PolarHBondContact O-N 3.46Å; P152-L186 HydrophobicContact CB-CD2 3.92Å; P152-L189 HydrophobicContact CB-CB 4.06Å; P152-L189 WeakPolarHBondContact O-CD1 3.28Å; P152-T190 WeakPolarHBondContact CG-OG1 3.44Å; P152-I234 HydrophobicContact CG-CD1 3.81Å |
| 153 | W | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.7 | -48.4 | 177.1 | 160.7 | -111.9 | 0 | 0 | 0 | 111.4 | A151 L155 M156 S157 A171 K172 L175 L186 E212 H214 L218 C227 | A151-W153 PolarHBondContact O-N 3.12Å; W153-L155 VanDerWaalsContact C-N 3.32Å; W153-L155 PolarHBondContact O-N 3.26Å; W153-M156 HydrophobicContact CE3-SD 4.4Å; W153-M156 PolarHBondContact O-N 3.22Å; W153-S157 WeakPolarHBondContact O-CB 3.4Å; W153-S157 PolarHBondContact O-N 3.17Å; W153-S157 PolarHBondContact O-OG 2.92Å; W153-A171 HydrophobicContact CH2-CB 3.65Å; W153-A171 HydrophobicContact CZ3-CB 4.01Å; W153-K172 HydrophobicContact CH2-CG 4.07Å; W153-K172 HydrophobicContact CZ2-CG 4.42Å; W153-L175 HydrophobicContact CE3-CD1 4.14Å; W153-L175 HydrophobicContact CE3-CD2 4.37Å; W153-L175 HydrophobicContact CH2-CD1 3.92Å; W153-L175 HydrophobicContact CH2-CG 4.43Å; W153-L175 HydrophobicContact CZ3-CD1 3.59Å; W153-L175 HydrophobicContact CZ3-CD2 3.97Å; W153-L175 HydrophobicContact CZ3-CG 3.89Å; W153-L186 HydrophobicContact CB-CD2 4.37Å; W153-E212 VanDerWaalsContact CD1-OE1 3.25Å; W153-H214 PolarHBondContact NE1-O 3.39Å; W153-L218 HydrophobicContact CD2-CD1 3.98Å; W153-L218 HydrophobicContact CD2-CD2 4.33Å; W153-L218 HydrophobicContact CD2-CG 4.43Å; W153-L218 HydrophobicContact CG-CD1 3.97Å; W153-L218 HydrophobicContact CH2-CD2 3.9Å; W153-L218 HydrophobicContact CZ2-CD1 4.48Å; W153-L218 HydrophobicContact CZ2-CD2 3.45Å; W153-L218 VanDerWaalsContact CZ2-CD2 3.45Å; W153-L218 HydrophobicContact CZ2-CG 4.05Å; W153-C227 HydrophobicContact CB-CB 4.29Å |
| 154 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -53.6 | -48.5 | 174 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | I81 A151 S157 Y158 E212 S213 H214 | I81-T154 HydrophobicContact CD1-CG2 3.86Å; A151-T154 PolarHBondContact O-N 3.47Å; T154-S157 PolarHBondContact O-N 3.25Å; T154-S157 PolarHBondContact O-OG 3.14Å; T154-Y158 HydrophobicContact CG2-CD2 4.06Å; T154-Y158 HydrophobicContact CG2-CE2 3.95Å; T154-Y158 VanDerWaalsContact O-CD2 3.31Å; T154-Y158 WeakPolarHBondContact O-CD2 3.34Å; T154-Y158 PolarHBondContact O-N 2.76Å; T154-E212 VanDerWaalsContact CB-OE1 3.29Å; T154-E212 WeakPolarHBondContact CB-OE1 3.43Å; T154-E212 PolarHBondContact N-OE1 3.41Å; T154-E212 PolarHBondContact OG1-OE1 3.48Å; T154-S213 PolarHBondContact OG1-N 3Å; T154-H214 PolarHBondContact OG1-N 3Å; T154-H214 VanDerWaalsContact OG1-N 3.11Å |
| 155 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 178 | -64.6 | -180 | 0 | 0 | 0 | 112.3 | I81 L82 I84 P85 G150 A151 P152 W153 S157 Y158 M159 L189 V193 | I81-L155 HydrophobicContact CB-CD2 4.22Å; I81-L155 WeakPolarHBondContact O-CD2 3.35Å; L82-L155 HydrophobicContact CD2-CD2 4.49Å; I84-L155 HydrophobicContact CB-CD1 4.18Å; I84-L155 HydrophobicContact CD1-CD1 4.11Å; I84-L155 HydrophobicContact CG2-CD1 4.15Å; P85-L155 HydrophobicContact CG-CD2 4.2Å; G150-L155 WeakPolarHBondContact O-CD1 3.46Å; A151-L155 WeakPolarHBondContact O-CG 3.38Å; A151-L155 PolarHBondContact O-N 3.48Å; P152-L155 PolarHBondContact O-N 3.01Å; W153-L155 VanDerWaalsContact C-N 3.32Å; W153-L155 PolarHBondContact O-N 3.26Å; L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 3.18Å; L155-Y158 WeakPolarHBondContact O-CB 3.26Å; L155-Y158 PolarHBondContact O-N 3.04Å; L155-M159 VanDerWaalsContact O-CG 3.27Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.34Å; L155-L189 HydrophobicContact CB-CD1 4.09Å; L155-L189 HydrophobicContact CB-CD2 4.08Å; L155-L189 HydrophobicContact CD1-CD2 4.17Å; L155-V193 HydrophobicContact CD1-CG2 3.85Å |
| 156 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.7 | -45.3 | 176.7 | 170.1 | 176.6 | 178.5 | 0 | 0 | 111.4 | P152 W153 Y158 M159 I160 W174 L175 L185 L186 L189 | P152-M156 VanDerWaalsContact O-CB 3.23Å; P152-M156 WeakPolarHBondContact O-CB 3.4Å; P152-M156 PolarHBondContact O-N 3.46Å; W153-M156 HydrophobicContact CE3-SD 4.4Å; W153-M156 PolarHBondContact O-N 3.22Å; M156-Y158 PolarHBondContact O-N 3.39Å; M156-M159 PolarHBondContact O-N 3.33Å; M156-I160 HydrophobicContact CE-CD1 3.38Å; M156-I160 HydrophobicContact CG-CD1 3.62Å; M156-I160 WeakPolarHBondContact O-CG1 3.15Å; M156-I160 PolarHBondContact O-N 2.92Å; M156-I160 HydrophobicContact SD-CD1 4.38Å; M156-W174 HydrophobicContact CE-CB 4.07Å; M156-W174 HydrophobicContact CE-CE3 4.1Å; M156-L175 HydrophobicContact CE-CD2 3.96Å; M156-L175 HydrophobicContact SD-CD2 4.39Å; M156-L185 HydrophobicContact CB-CD2 4.29Å; M156-L185 HydrophobicContact CG-CD2 3.73Å; M156-L185 HydrophobicContact CG-CG 4.34Å; M156-L185 HydrophobicContact SD-CD2 4.32Å; M156-L186 HydrophobicContact CB-CD2 4.18Å; M156-L186 HydrophobicContact SD-CD1 4.03Å; M156-L186 HydrophobicContact SD-CD2 3.76Å; M156-L186 HydrophobicContact SD-CG 3.64Å; M156-L189 HydrophobicContact CB-CD1 3.79Å |
| 157 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | -177.9 | 71 | 0 | 0 | 0 | 0 | 112.4 | W153 T154 L155 E161 H214 | W153-S157 WeakPolarHBondContact O-CB 3.4Å; W153-S157 PolarHBondContact O-N 3.17Å; W153-S157 PolarHBondContact O-OG 2.92Å; T154-S157 PolarHBondContact O-N 3.25Å; T154-S157 PolarHBondContact O-OG 3.14Å; L155-S157 VanDerWaalsContact C-N 3.27Å; L155-S157 PolarHBondContact O-N 3.18Å; S157-E161 VanDerWaalsContact O-CB 3.24Å; S157-E161 WeakPolarHBondContact O-CB 3.4Å; S157-E161 VanDerWaalsContact O-CG 3.28Å; S157-E161 WeakPolarHBondContact O-CG 3.16Å; S157-E161 PolarHBondContact O-N 3.02Å; S157-H214 PolarHBondContact OG-ND1 2.97Å |
| 158 | Y | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 20.5 Ų | 20.5 | 11% | 0.114 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 170.9 | -89.9 | -67.2 | 0 | 0 | 0 | 112.3 | I81 L82 P100 F102 T154 L155 M156 I160 G162 G163 S164 H214 | I81-Y158 HydrophobicContact CD1-CD2 4.17Å; I81-Y158 HydrophobicContact CD1-CE2 3.69Å; L82-Y158 HydrophobicContact CD1-CD1 4.49Å; L82-Y158 HydrophobicContact CD2-CD1 4.16Å; L82-Y158 HydrophobicContact CD2-CD2 3.73Å; L82-Y158 HydrophobicContact CD2-CE2 4.38Å; L82-Y158 HydrophobicContact CD2-CG 3.63Å; P100-Y158 HydrophobicContact CG-CE1 4.38Å; F102-Y158 WeakPolarHBondContact CD2-O 3.33Å; T154-Y158 HydrophobicContact CG2-CD2 4.06Å; T154-Y158 HydrophobicContact CG2-CE2 3.95Å; T154-Y158 VanDerWaalsContact O-CD2 3.31Å; T154-Y158 WeakPolarHBondContact O-CD2 3.34Å; T154-Y158 PolarHBondContact O-N 2.76Å; L155-Y158 WeakPolarHBondContact O-CB 3.26Å; L155-Y158 PolarHBondContact O-N 3.04Å; M156-Y158 PolarHBondContact O-N 3.39Å; Y158-I160 VanDerWaalsContact C-N 3.31Å; Y158-I160 PolarHBondContact O-N 2.89Å; Y158-G162 WeakPolarHBondContact O-CA 3.48Å; Y158-G162 PolarHBondContact O-N 3.4Å; Y158-G163 PolarHBondContact O-N 3.26Å; Y158-S164 PolarHBondContact OH-OG 3.31Å; Y158-H214 AromaticContact CD2-CE1 3.51Å; Y158-H214 AromaticContact CE2-CE1 3.07Å; Y158-H214 WeakPolarHBondContact CE2-CE1 3.36Å; Y158-H214 AromaticContact CE2-NE2 3.52Å; Y158-H214 AromaticContact CZ-CE1 3.49Å; Y158-H214 VanDerWaalsContact CZ-CE1 3.49Å; Y158-H214 AromaticContact CZ-NE2 3.69Å; Y158-H214 PolarHBondContact OH-NE2 2.96Å |
| 159 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -35.7 | -178.8 | -65.2 | 166.4 | 77.2 | 0 | 0 | 112.4 | P85 L88 M90 F102 P105 L106 L115 L155 M156 L185 L189 | P85-M159 HydrophobicContact CB-CG 3.94Å; P85-M159 HydrophobicContact CB-SD 4.26Å; P85-M159 HydrophobicContact CG-CG 3.93Å; P85-M159 HydrophobicContact CG-SD 4.05Å; L88-M159 HydrophobicContact CD1-CE 4.13Å; M90-M159 HydrophobicContact CE-CB 4.07Å; M90-M159 HydrophobicContact CE-CG 4.42Å; M90-M159 HydrophobicContact CG-CE 4.48Å; M90-M159 HydrophobicContact SD-CB 3.78Å; M90-M159 HydrophobicContact SD-CE 3.35Å; M90-M159 WeakPolarHBondContact SD-CE 3.29Å; M90-M159 HydrophobicContact SD-CG 3.59Å; M90-M159 VanDerWaalsContact SD-CG 3.59Å; M90-M159 HydrophobicContact SD-SD 4.29Å; F102-M159 HydrophobicContact CE1-CG 4.45Å; F102-M159 HydrophobicContact CZ-CG 4.29Å; P105-M159 CarbonylContact C-O 3.59Å; P105-M159 WeakPolarHBondContact CA-O 3.43Å; L106-M159 HydrophobicContact CD1-CB 3.93Å; L106-M159 HydrophobicContact CD1-CE 3.98Å; L106-M159 HydrophobicContact CG-CB 4.37Å; L106-M159 PolarHBondContact N-O 3.39Å; L115-M159 HydrophobicContact CD1-CE 3.93Å; L115-M159 HydrophobicContact CD2-CE 3.91Å; L155-M159 VanDerWaalsContact O-CG 3.27Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.34Å; M156-M159 PolarHBondContact O-N 3.33Å; M159-L185 HydrophobicContact CE-CD1 4.02Å; M159-L185 HydrophobicContact SD-CD1 4.46Å; M159-L189 HydrophobicContact CE-CD2 4.48Å; M159-L189 HydrophobicContact SD-CD1 4Å; M159-L189 HydrophobicContact SD-CD2 3.75Å; M159-L189 HydrophobicContact SD-CG 4.37Å |
| 160 | I | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -85.4 | -45.4 | -179.4 | -67.3 | 167.3 | 0 | 0 | 0 | 112.1 | L106 M156 Y158 G162 K170 A171 W174 L185 | L106-I160 HydrophobicContact CB-CG1 4.1Å; M156-I160 HydrophobicContact CE-CD1 3.38Å; M156-I160 HydrophobicContact CG-CD1 3.62Å; M156-I160 WeakPolarHBondContact O-CG1 3.15Å; M156-I160 PolarHBondContact O-N 2.92Å; M156-I160 HydrophobicContact SD-CD1 4.38Å; Y158-I160 VanDerWaalsContact C-N 3.31Å; Y158-I160 PolarHBondContact O-N 2.89Å; I160-G162 PolarHBondContact O-N 2.86Å; I160-K170 HydrophobicContact CG2-CB 3.87Å; I160-A171 HydrophobicContact CB-CB 4.36Å; I160-A171 HydrophobicContact CG2-CB 4.34Å; I160-W174 HydrophobicContact CD1-CB 4.24Å; I160-W174 HydrophobicContact CD1-CD2 3.62Å; I160-W174 HydrophobicContact CD1-CE3 3.75Å; I160-W174 HydrophobicContact CD1-CG 3.86Å; I160-W174 HydrophobicContact CD1-CZ3 4.29Å; I160-W174 HydrophobicContact CG1-CD2 4.32Å; I160-W174 HydrophobicContact CG1-CZ2 4.45Å; I160-L185 HydrophobicContact CD1-CD2 4.42Å |
| 161 | E | 98.1 | Very high | 98 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -30.3 | 179.2 | -69.5 | -60.1 | 156.8 | 0 | 0 | 112 | S157 G163 Y168 S169 K170 A171 | S157-E161 VanDerWaalsContact O-CB 3.24Å; S157-E161 WeakPolarHBondContact O-CB 3.4Å; S157-E161 VanDerWaalsContact O-CG 3.28Å; S157-E161 WeakPolarHBondContact O-CG 3.16Å; S157-E161 PolarHBondContact O-N 3.02Å; E161-G163 WeakPolarHBondContact CB-O 3.46Å; E161-Y168 HydrophobicContact CG-CD1 3.57Å; E161-Y168 HydrophobicContact CG-CE1 4.15Å; E161-Y168 HydrophobicContact CG-CG 4.44Å; E161-Y168 WeakPolarHBondContact OE1-CA 3.24Å; E161-S169 PolarHBondContact OE1-N 3.28Å; E161-S169 VanDerWaalsContact OE1-N 3.16Å; E161-K170 WeakPolarHBondContact OE1-CA 3.44Å; E161-K170 VanDerWaalsContact OE1-CB 3.27Å; E161-K170 WeakPolarHBondContact OE1-CB 3.29Å; E161-K170 PolarHBondContact OE1-N 2.83Å; E161-A171 HydrophobicContact CG-CB 4.39Å; E161-A171 PolarHBondContact OE1-N 3.01Å |
| 162 | G | 97.6 | Very high | 98 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 88.6 | 9.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | K101 F102 P105 Y158 I160 | K101-G162 CarbonylContact C-O 3.53Å; K101-G162 VanDerWaalsContact CA-O 3.26Å; K101-G162 WeakPolarHBondContact CA-O 3.18Å; K101-G162 WeakPolarHBondContact CG-O 3Å; F102-G162 PolarHBondContact N-O 3.47Å; P105-G162 VanDerWaalsContact CG-CA 3.42Å; Y158-G162 WeakPolarHBondContact O-CA 3.48Å; Y158-G162 PolarHBondContact O-N 3.4Å; I160-G162 PolarHBondContact O-N 2.86Å |
| 163 | G | 96.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | 159.9 | -166.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P100 Y158 E161 | P100-G163 WeakPolarHBondContact O-CA 3.38Å; Y158-G163 PolarHBondContact O-N 3.26Å; E161-G163 WeakPolarHBondContact CB-O 3.46Å |
| 164 | S | 94.9 | Very high | 97.9 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | trans | -67.8 | 147.1 | 173.3 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | Y158 | Y158-S164 PolarHBondContact OH-OG 3.31Š| ||
| 165 | S | 96.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | trans | -137.2 | 150 | 178.3 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | T167 Y168 | S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact OG-N 3.06Å; S165-Y168 PolarHBondContact N-OH 2.89Å; S165-Y168 WeakPolarHBondContact O-CD2 3.34Å; S165-Y168 WeakPolarHBondContact O-CE2 3.29Å; S165-Y168 PolarHBondContact OG-N 3.39Å | ||
| 166 | N | 96.2 | Very high | 97.9 | Very high | 157 Ų | 157 | 44.6 Ų | 44.6 | 84% | 0.84 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -84.5 | -9 | 175.7 | -67.9 | -21.9 | 0 | 0 | 0 | 112.9 | F217 | N166-F217 WeakPolarHBondContact O-CE1 3.31Š|
| 167 | T | 97.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -133.4 | -21.7 | -177.6 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | S165 S169 | S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact OG-N 3.06Å; T167-S169 PolarHBondContact O-N 3.02Å; T167-S169 WeakPolarHBondContact OG1-CB 3.5Å; T167-S169 PolarHBondContact OG1-N 3.35Å; T167-S169 PolarHBondContact OG1-OG 2.89Å |
| 168 | Y | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 52 Ų | 52 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | trans | 47.8 | 38.8 | -169.7 | -66.4 | -82.6 | 0 | 0 | 0 | 111.9 | E161 S165 K170 A171 K172 H214 F217 | E161-Y168 HydrophobicContact CG-CD1 3.57Å; E161-Y168 HydrophobicContact CG-CE1 4.15Å; E161-Y168 HydrophobicContact CG-CG 4.44Å; E161-Y168 WeakPolarHBondContact OE1-CA 3.24Å; S165-Y168 PolarHBondContact N-OH 2.89Å; S165-Y168 WeakPolarHBondContact O-CD2 3.34Å; S165-Y168 WeakPolarHBondContact O-CE2 3.29Å; S165-Y168 PolarHBondContact OG-N 3.39Å; Y168-K170 PolarHBondContact O-N 2.66Å; Y168-A171 PolarHBondContact O-N 2.98Å; Y168-K172 WeakPolarHBondContact O-CB 3.29Å; Y168-K172 VanDerWaalsContact O-CG 3.31Å; Y168-K172 WeakPolarHBondContact O-CG 3.44Å; Y168-K172 PolarHBondContact O-N 3.13Å; Y168-H214 AromaticContact CE1-CE1 3.57Å; Y168-H214 AromaticContact CE1-ND1 3.53Å; Y168-H214 HydrophobicContact CE2-CB 4.46Å; Y168-H214 AromaticContact CZ-CD2 3.8Å; Y168-H214 AromaticContact CZ-CE1 3.35Å; Y168-H214 AromaticContact CZ-CG 3.75Å; Y168-H214 AromaticContact CZ-ND1 3.47Å; Y168-H214 AromaticContact CZ-NE2 3.6Å; Y168-H214 PolarHBondContact OH-CE1 2.81Å; Y168-H214 PolarHBondContact OH-NE2 2.98Å; Y168-F217 HydrophobicContact CD2-CB 4.21Å; Y168-F217 AromaticContact CD2-CD1 3.69Å; Y168-F217 HydrophobicContact CD2-CD1 3.69Å; Y168-F217 AromaticContact CD2-CD2 3.31Å; Y168-F217 HydrophobicContact CD2-CD2 3.31Å; Y168-F217 AromaticContact CD2-CE1 3.81Å; Y168-F217 HydrophobicContact CD2-CE1 3.81Å; Y168-F217 AromaticContact CD2-CE2 3.45Å; Y168-F217 HydrophobicContact CD2-CE2 3.45Å; Y168-F217 VanDerWaalsContact CD2-CE2 3.45Å; Y168-F217 AromaticContact CD2-CG 3.43Å; Y168-F217 HydrophobicContact CD2-CG 3.43Å; Y168-F217 VanDerWaalsContact CD2-CG 3.43Å; Y168-F217 AromaticContact CD2-CZ 3.69Å; Y168-F217 HydrophobicContact CD2-CZ 3.69Å; Y168-F217 HydrophobicContact CE2-CD1 4.39Å; Y168-F217 AromaticContact CE2-CD2 3.53Å; Y168-F217 HydrophobicContact CE2-CD2 3.53Å; Y168-F217 HydrophobicContact CE2-CE1 4.12Å; Y168-F217 AromaticContact CE2-CE2 3.21Å; Y168-F217 HydrophobicContact CE2-CE2 3.21Å; Y168-F217 HydrophobicContact CE2-CG 4.12Å; Y168-F217 AromaticContact CE2-CZ 3.53Å; Y168-F217 HydrophobicContact CE2-CZ 3.53Å; Y168-F217 HydrophobicContact CG-CD2 4.39Å; Y168-F217 HydrophobicContact CG-CG 4.35Å | ||
| 169 | S | 98.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 49% | 0.49 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.4 | -33.2 | -172.3 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | E161 T167 K173 | E161-S169 PolarHBondContact OE1-N 3.28Å; E161-S169 VanDerWaalsContact OE1-N 3.16Å; T167-S169 PolarHBondContact O-N 3.02Å; T167-S169 WeakPolarHBondContact OG1-CB 3.5Å; T167-S169 PolarHBondContact OG1-N 3.35Å; T167-S169 PolarHBondContact OG1-OG 2.89Å; S169-K173 VanDerWaalsContact O-CB 3.3Å; S169-K173 WeakPolarHBondContact O-CB 3.25Å; S169-K173 PolarHBondContact O-N 3.3Å |
| 170 | K | 98.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -45.6 | 174.9 | -54.9 | 177.6 | -173 | 170.5 | 0 | 110.2 | I160 E161 Y168 K172 K173 W174 | I160-K170 HydrophobicContact CG2-CB 3.87Å; E161-K170 WeakPolarHBondContact OE1-CA 3.44Å; E161-K170 VanDerWaalsContact OE1-CB 3.27Å; E161-K170 WeakPolarHBondContact OE1-CB 3.29Å; E161-K170 PolarHBondContact OE1-N 2.83Å; Y168-K170 PolarHBondContact O-N 2.66Å; K170-K172 PolarHBondContact O-N 2.62Å; K170-K173 WeakPolarHBondContact O-CB 3.35Å; K170-K173 PolarHBondContact O-N 3.17Å; K170-W174 PolarHBondContact O-N 2.66Å |
| 171 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W153 I160 E161 Y168 W174 L175 | W153-A171 HydrophobicContact CH2-CB 3.65Å; W153-A171 HydrophobicContact CZ3-CB 4.01Å; I160-A171 HydrophobicContact CB-CB 4.36Å; I160-A171 HydrophobicContact CG2-CB 4.34Å; E161-A171 HydrophobicContact CG-CB 4.39Å; E161-A171 PolarHBondContact OE1-N 3.01Å; Y168-A171 PolarHBondContact O-N 2.98Å; A171-W174 WeakPolarHBondContact O-CB 3.48Å; A171-W174 PolarHBondContact O-N 3.18Å; A171-L175 PolarHBondContact O-N 2.94Å |
| 172 | K | 98.6 | Very high | 97.9 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 175.2 | -72.9 | 171.7 | 63.8 | 168.1 | 0 | 112.7 | W153 Y168 K170 W174 L175 Y176 F217 L218 | W153-K172 HydrophobicContact CH2-CG 4.07Å; W153-K172 HydrophobicContact CZ2-CG 4.42Å; Y168-K172 WeakPolarHBondContact O-CB 3.29Å; Y168-K172 VanDerWaalsContact O-CG 3.31Å; Y168-K172 WeakPolarHBondContact O-CG 3.44Å; Y168-K172 PolarHBondContact O-N 3.13Å; K170-K172 PolarHBondContact O-N 2.62Å; K172-W174 VanDerWaalsContact C-N 3.25Å; K172-W174 PolarHBondContact O-N 3.26Å; K172-L175 WeakPolarHBondContact O-CB 3.41Å; K172-L175 PolarHBondContact O-N 3.11Å; K172-L175 VanDerWaalsContact O-N 3.09Å; K172-Y176 WeakPolarHBondContact O-CD2 3.46Å; K172-Y176 PolarHBondContact O-N 2.91Å; K172-F217 WeakPolarHBondContact CD-O 3.49Å; K172-F217 WeakPolarHBondContact CE-O 3.41Å; K172-F217 PolarHBondContact NZ-O 3.34Å; K172-L218 HydrophobicContact CG-CD2 4.31Å |
| 173 | K | 98.6 | Very high | 97.9 | Very high | 138 Ų | 138 | 64.3 Ų | 64.3 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -54.9 | -45.2 | 173.3 | 179 | -177.3 | 174.7 | -174.3 | 0 | 110.4 | S169 K170 L175 Y176 T177 | S169-K173 VanDerWaalsContact O-CB 3.3Å; S169-K173 WeakPolarHBondContact O-CB 3.25Å; S169-K173 PolarHBondContact O-N 3.3Å; K170-K173 WeakPolarHBondContact O-CB 3.35Å; K170-K173 PolarHBondContact O-N 3.17Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3.19Å; K173-Y176 PolarHBondContact O-N 2.95Å; K173-Y176 VanDerWaalsContact O-N 3.11Å; K173-T177 HydrophobicContact CG-CG2 4.12Å; K173-T177 PolarHBondContact O-N 2.91Å; K173-T177 PolarHBondContact O-OG1 2.54Å |
| 174 | W | 98.7 | Very high | 98 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 175.3 | -83.6 | 52 | 0 | 0 | 0 | 112.7 | L106 S108 L112 M156 I160 K170 A171 K172 Y176 T177 E178 S182 | L106-W174 HydrophobicContact CB-CH2 4.32Å; L106-W174 HydrophobicContact CB-CZ2 4.34Å; S108-W174 VanDerWaalsContact C-CZ2 3.4Å; S108-W174 WeakPolarHBondContact O-CH2 3.43Å; S108-W174 WeakPolarHBondContact O-CZ2 3.25Å; L112-W174 HydrophobicContact CD1-CZ3 4.29Å; L112-W174 HydrophobicContact CD2-CH2 4.13Å; L112-W174 HydrophobicContact CD2-CZ3 4.07Å; L112-W174 HydrophobicContact CG-CH2 4.26Å; L112-W174 HydrophobicContact CG-CZ3 4.29Å; M156-W174 HydrophobicContact CE-CB 4.07Å; M156-W174 HydrophobicContact CE-CE3 4.1Å; I160-W174 HydrophobicContact CD1-CB 4.24Å; I160-W174 HydrophobicContact CD1-CD2 3.62Å; I160-W174 HydrophobicContact CD1-CE3 3.75Å; I160-W174 HydrophobicContact CD1-CG 3.86Å; I160-W174 HydrophobicContact CD1-CZ3 4.29Å; I160-W174 HydrophobicContact CG1-CD2 4.32Å; I160-W174 HydrophobicContact CG1-CZ2 4.45Å; K170-W174 PolarHBondContact O-N 2.66Å; A171-W174 WeakPolarHBondContact O-CB 3.48Å; A171-W174 PolarHBondContact O-N 3.18Å; K172-W174 VanDerWaalsContact C-N 3.25Å; K172-W174 PolarHBondContact O-N 3.26Å; W174-Y176 PolarHBondContact O-N 2.53Å; W174-T177 PolarHBondContact O-N 3.35Å; W174-E178 CarbonylContact O-C 3.55Å; W174-E178 VanDerWaalsContact O-CA 3.28Å; W174-E178 WeakPolarHBondContact O-CA 3.38Å; W174-E178 PolarHBondContact O-N 3.18Å; W174-S182 VanDerWaalsContact C-OG 3.25Å; W174-S182 PolarHBondContact O-OG 3.28Å; W174-S182 VanDerWaalsContact O-OG 3.06Å |
| 175 | L | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 177.9 | -55.8 | -172.5 | 0 | 0 | 0 | 112.6 | W153 M156 A171 K172 K173 L218 L222 F226 | W153-L175 HydrophobicContact CE3-CD1 4.14Å; W153-L175 HydrophobicContact CE3-CD2 4.37Å; W153-L175 HydrophobicContact CH2-CD1 3.92Å; W153-L175 HydrophobicContact CH2-CG 4.43Å; W153-L175 HydrophobicContact CZ3-CD1 3.59Å; W153-L175 HydrophobicContact CZ3-CD2 3.97Å; W153-L175 HydrophobicContact CZ3-CG 3.89Å; M156-L175 HydrophobicContact CE-CD2 3.96Å; M156-L175 HydrophobicContact SD-CD2 4.39Å; A171-L175 PolarHBondContact O-N 2.94Å; K172-L175 WeakPolarHBondContact O-CB 3.41Å; K172-L175 PolarHBondContact O-N 3.11Å; K172-L175 VanDerWaalsContact O-N 3.09Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3.19Å; L175-L218 HydrophobicContact CD1-CD2 3.74Å; L175-L222 HydrophobicContact CB-CD2 4.18Å; L175-L222 HydrophobicContact CD1-CB 4.47Å; L175-L222 HydrophobicContact CD1-CD1 4.2Å; L175-L222 HydrophobicContact CD1-CD2 4.35Å; L175-F226 HydrophobicContact CB-CD2 4.12Å; L175-F226 HydrophobicContact CB-CE2 4.02Å; L175-F226 HydrophobicContact CB-CZ 4.36Å; L175-F226 HydrophobicContact CD1-CB 4.26Å; L175-F226 HydrophobicContact CD1-CD2 4.12Å; L175-F226 HydrophobicContact CD1-CG 4.3Å; L175-F226 HydrophobicContact CD2-CB 4.02Å; L175-F226 HydrophobicContact CD2-CD1 3.86Å; L175-F226 HydrophobicContact CD2-CD2 4.17Å; L175-F226 HydrophobicContact CD2-CE1 4.32Å; L175-F226 HydrophobicContact CD2-CG 3.76Å; L175-F226 HydrophobicContact CG-CD2 4.36Å; L175-F226 HydrophobicContact CG-CG 4.43Å; L175-F226 WeakPolarHBondContact O-CZ 3.46Å |
| 176 | Y | 98.4 | Very high | 98.3 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -84.9 | -39.1 | -179.6 | -74.3 | -67.3 | 0 | 0 | 0 | 113.9 | K172 K173 W174 L222 | K172-Y176 WeakPolarHBondContact O-CD2 3.46Å; K172-Y176 PolarHBondContact O-N 2.91Å; K173-Y176 PolarHBondContact O-N 2.95Å; K173-Y176 VanDerWaalsContact O-N 3.11Å; W174-Y176 PolarHBondContact O-N 2.53Å; Y176-L222 HydrophobicContact CE1-CD2 4.18Å; Y176-L222 HydrophobicContact CE2-CD1 3.82Å; Y176-L222 WeakPolarHBondContact OH-CD1 3.49Å |
| 177 | T | 98.3 | Very high | 98.4 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -101.1 | -25.3 | -171.6 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | K173 W174 P179 | K173-T177 HydrophobicContact CG-CG2 4.12Å; K173-T177 PolarHBondContact O-N 2.91Å; K173-T177 PolarHBondContact O-OG1 2.54Å; W174-T177 PolarHBondContact O-N 3.35Å; T177-P179 VanDerWaalsContact C-CD 3.44Å |
| 178 | E | 98.2 | Very high | 98.5 | Very high | 80 Ų | 80 | 58.1 Ų | 58.1 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | trans | -130.7 | 54.4 | -174.6 | -55 | -60.2 | 160.2 | 0 | 0 | 111.5 | V109 W174 Q180 S181 S182 | V109-E178 HydrophobicContact CG2-CB 4.01Å; V109-E178 HydrophobicContact CG2-CG 3.73Å; W174-E178 CarbonylContact O-C 3.55Å; W174-E178 VanDerWaalsContact O-CA 3.28Å; W174-E178 WeakPolarHBondContact O-CA 3.38Å; W174-E178 PolarHBondContact O-N 3.18Å; E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.46Å; E178-S181 PolarHBondContact O-N 2.91Å; E178-S182 WeakPolarHBondContact O-CB 3.44Å; E178-S182 PolarHBondContact O-N 3.37Å; E178-S182 PolarHBondContact O-OG 3.15Å | ||
| 179 | P | 98.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | -170.2 | 24.4 | -35 | 0 | 0 | 0 | 113.2 | T177 S182 Q183 F226 | T177-P179 VanDerWaalsContact C-CD 3.44Å; P179-S182 WeakPolarHBondContact O-CB 3.35Å; P179-S182 PolarHBondContact O-N 2.87Å; P179-Q183 VanDerWaalsContact O-CG 3.29Å; P179-Q183 WeakPolarHBondContact O-CG 3.4Å; P179-Q183 PolarHBondContact O-N 3.24Å; P179-F226 HydrophobicContact CB-CE1 4.29Å; P179-F226 HydrophobicContact CB-CZ 3.96Å |
| 180 | Q | 98.5 | Very high | 98.6 | Very high | 159 Ų | 159 | 54.5 Ų | 54.5 | 74% | 0.743 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 178.9 | -66.1 | -179.7 | 0.2 | 0 | 0 | 111.6 | E178 S182 Q183 R184 | E178-Q180 VanDerWaalsContact C-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.46Å; Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 3.44Å; Q180-Q183 PolarHBondContact O-N 3.22Å; Q180-R184 PolarHBondContact O-N 3Å |
| 181 | S | 98.4 | Very high | 98.6 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 177.1 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | V109 E178 R184 L185 | V109-S181 WeakPolarHBondContact CG1-OG 3.26Å; V109-S181 WeakPolarHBondContact CG2-OG 3.41Å; E178-S181 PolarHBondContact O-N 2.91Å; S181-R184 WeakPolarHBondContact O-CB 3.29Å; S181-R184 PolarHBondContact O-N 3.47Å; S181-L185 PolarHBondContact O-N 3.42Å |
| 182 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 172.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | W174 E178 P179 Q180 R184 L185 L186 | W174-S182 VanDerWaalsContact C-OG 3.25Å; W174-S182 PolarHBondContact O-OG 3.28Å; W174-S182 VanDerWaalsContact O-OG 3.06Å; E178-S182 WeakPolarHBondContact O-CB 3.44Å; E178-S182 PolarHBondContact O-N 3.37Å; E178-S182 PolarHBondContact O-OG 3.15Å; P179-S182 WeakPolarHBondContact O-CB 3.35Å; P179-S182 PolarHBondContact O-N 2.87Å; Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 3.44Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 2.74Å; S182-L185 PolarHBondContact O-N 3.26Å; S182-L186 WeakPolarHBondContact O-CB 3.44Å; S182-L186 WeakPolarHBondContact O-CD1 3.39Å; S182-L186 VanDerWaalsContact O-CG 3.24Å; S182-L186 WeakPolarHBondContact O-CG 3.23Å; S182-L186 PolarHBondContact O-N 3.17Å |
| 183 | Q | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 176.9 | -73.4 | 172.8 | -14.8 | 0 | 0 | 112.7 | P179 Q180 L186 S187 F226 Y230 | P179-Q183 VanDerWaalsContact O-CG 3.29Å; P179-Q183 WeakPolarHBondContact O-CG 3.4Å; P179-Q183 PolarHBondContact O-N 3.24Å; Q180-Q183 PolarHBondContact O-N 3.22Å; Q183-L186 PolarHBondContact O-N 2.98Å; Q183-S187 VanDerWaalsContact O-CB 3.25Å; Q183-S187 WeakPolarHBondContact O-CB 3.5Å; Q183-S187 PolarHBondContact O-N 3.38Å; Q183-F226 HydrophobicContact CG-CD1 4.29Å; Q183-F226 HydrophobicContact CG-CE1 4.03Å; Q183-Y230 WeakPolarHBondContact CA-OH 3.34Å; Q183-Y230 WeakPolarHBondContact CG-OH 3.2Å; Q183-Y230 PolarHBondContact O-OH 2.91Å |
| 184 | R | 98.3 | Very high | 98.6 | Very high | 147 Ų | 147 | 44.8 Ų | 44.8 | 56% | 0.555 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -60 | -47.5 | 174.5 | -177.8 | -179.1 | 174 | -158.3 | -5.6 | 111.1 | D113 Q180 S181 S182 S187 L188 | D113-R184 IonicContact OD1-NH1 2.77Å; D113-R184 IonicContact OD1-NH2 3.16Å; Q180-R184 PolarHBondContact O-N 3Å; S181-R184 WeakPolarHBondContact O-CB 3.29Å; S181-R184 PolarHBondContact O-N 3.47Å; S182-R184 VanDerWaalsContact C-N 3.34Å; S182-R184 PolarHBondContact O-N 2.74Å; R184-S187 PolarHBondContact O-N 3.01Å; R184-L188 PolarHBondContact O-N 2.77Å |
| 185 | L | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -44.7 | 178.3 | 177.8 | 56 | 0 | 0 | 0 | 112 | L106 L112 L115 M156 M159 I160 S181 S182 S187 L188 L189 | L106-L185 HydrophobicContact CD1-CD2 3.82Å; L112-L185 HydrophobicContact CD2-CB 4.11Å; L112-L185 HydrophobicContact CD2-CD1 4.12Å; L112-L185 HydrophobicContact CD2-CD2 3.97Å; L112-L185 HydrophobicContact CD2-CG 4.29Å; L115-L185 HydrophobicContact CD1-CD1 3.84Å; M156-L185 HydrophobicContact CB-CD2 4.29Å; M156-L185 HydrophobicContact CG-CD2 3.73Å; M156-L185 HydrophobicContact CG-CG 4.34Å; M156-L185 HydrophobicContact SD-CD2 4.32Å; M159-L185 HydrophobicContact CE-CD1 4.02Å; M159-L185 HydrophobicContact SD-CD1 4.46Å; I160-L185 HydrophobicContact CD1-CD2 4.42Å; S181-L185 PolarHBondContact O-N 3.42Å; S182-L185 PolarHBondContact O-N 3.26Å; L185-S187 VanDerWaalsContact C-N 3.31Å; L185-S187 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 2.88Å; L185-L189 HydrophobicContact CD1-CD1 4Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 3.97Å; L185-L189 WeakPolarHBondContact O-CG 3.44Å; L185-L189 PolarHBondContact O-N 3.34Å |
| 186 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.5 | -70.2 | 160.5 | 0 | 0 | 0 | 111.7 | P152 W153 M156 S182 Q183 L189 T190 F226 Y230 | P152-L186 HydrophobicContact CB-CD2 3.92Å; W153-L186 HydrophobicContact CB-CD2 4.37Å; M156-L186 HydrophobicContact CB-CD2 4.18Å; M156-L186 HydrophobicContact SD-CD1 4.03Å; M156-L186 HydrophobicContact SD-CD2 3.76Å; M156-L186 HydrophobicContact SD-CG 3.64Å; S182-L186 WeakPolarHBondContact O-CB 3.44Å; S182-L186 WeakPolarHBondContact O-CD1 3.39Å; S182-L186 VanDerWaalsContact O-CG 3.24Å; S182-L186 WeakPolarHBondContact O-CG 3.23Å; S182-L186 PolarHBondContact O-N 3.17Å; Q183-L186 PolarHBondContact O-N 2.98Å; L186-L189 PolarHBondContact O-N 3.3Å; L186-T190 WeakPolarHBondContact O-CB 3.31Å; L186-T190 PolarHBondContact O-N 2.95Å; L186-T190 PolarHBondContact O-OG1 2.74Å; L186-F226 HydrophobicContact CD1-CB 3.96Å; L186-F226 HydrophobicContact CD1-CD1 3.92Å; L186-F226 HydrophobicContact CD1-CG 4.44Å; L186-F226 WeakPolarHBondContact CD1-O 3.01Å; L186-Y230 HydrophobicContact CB-CD1 4.14Å; L186-Y230 HydrophobicContact CB-CD2 3.95Å; L186-Y230 HydrophobicContact CB-CE1 3.7Å; L186-Y230 HydrophobicContact CB-CE2 3.52Å; L186-Y230 HydrophobicContact CB-CG 4.24Å; L186-Y230 HydrophobicContact CD1-CD2 4.3Å; L186-Y230 HydrophobicContact CD1-CE2 3.6Å; L186-Y230 HydrophobicContact CD2-CD2 4.48Å; L186-Y230 HydrophobicContact CG-CD2 4.47Å; L186-Y230 HydrophobicContact CG-CE2 4.06Å |
| 187 | S | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | Q183 R184 L185 L189 T190 Q191 | Q183-S187 VanDerWaalsContact O-CB 3.25Å; Q183-S187 WeakPolarHBondContact O-CB 3.5Å; Q183-S187 PolarHBondContact O-N 3.38Å; R184-S187 PolarHBondContact O-N 3.01Å; L185-S187 VanDerWaalsContact C-N 3.31Å; L185-S187 PolarHBondContact O-N 3.03Å; S187-L189 PolarHBondContact O-N 2.8Å; S187-T190 WeakPolarHBondContact O-CB 3.48Å; S187-T190 PolarHBondContact O-N 3.16Å; S187-Q191 WeakPolarHBondContact O-CG 3.47Å; S187-Q191 PolarHBondContact O-N 3.1Å |
| 188 | L | 98.7 | Very high | 98.7 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 12% | 0.12 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 174.2 | 172.5 | 60.4 | 0 | 0 | 0 | 111.3 | L88 L115 A117 R184 L185 T190 Q191 K192 | L88-L188 HydrophobicContact CD2-CD1 4.27Å; L88-L188 HydrophobicContact CD2-CD2 4.11Å; L88-L188 HydrophobicContact CD2-CG 4.29Å; L115-L188 HydrophobicContact CD1-CD2 4.25Å; A117-L188 HydrophobicContact CB-CD1 3.97Å; A117-L188 HydrophobicContact CB-CD2 4.15Å; R184-L188 PolarHBondContact O-N 2.77Å; L185-L188 PolarHBondContact O-N 2.88Å; L188-T190 VanDerWaalsContact C-N 3.28Å; L188-T190 PolarHBondContact O-N 3.46Å; L188-Q191 PolarHBondContact O-N 3.11Å; L188-K192 HydrophobicContact CD1-CG 4.23Å; L188-K192 WeakPolarHBondContact O-CG 3.22Å; L188-K192 PolarHBondContact O-N 2.97Å; L188-K192 VanDerWaalsContact O-N 3.14Å |
| 189 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61 | -39.2 | 178.8 | -72.2 | 167.4 | 0 | 0 | 0 | 111.7 | I84 L88 P152 L155 M156 M159 L185 L186 S187 K192 V193 | I84-L189 HydrophobicContact CG2-CD2 4.21Å; L88-L189 HydrophobicContact CD1-CD2 3.77Å; P152-L189 HydrophobicContact CB-CB 4.06Å; P152-L189 WeakPolarHBondContact O-CD1 3.28Å; L155-L189 HydrophobicContact CB-CD1 4.09Å; L155-L189 HydrophobicContact CB-CD2 4.08Å; L155-L189 HydrophobicContact CD1-CD2 4.17Å; M156-L189 HydrophobicContact CB-CD1 3.79Å; M159-L189 HydrophobicContact CE-CD2 4.48Å; M159-L189 HydrophobicContact SD-CD1 4Å; M159-L189 HydrophobicContact SD-CD2 3.75Å; M159-L189 HydrophobicContact SD-CG 4.37Å; L185-L189 HydrophobicContact CD1-CD1 4Å; L185-L189 HydrophobicContact CD1-CG 4.12Å; L185-L189 HydrophobicContact CG-CD1 3.97Å; L185-L189 WeakPolarHBondContact O-CG 3.44Å; L185-L189 PolarHBondContact O-N 3.34Å; L186-L189 PolarHBondContact O-N 3.3Å; S187-L189 PolarHBondContact O-N 2.8Å; L189-K192 PolarHBondContact O-N 3.42Å; L189-V193 WeakPolarHBondContact O-CB 3.19Å; L189-V193 VanDerWaalsContact O-CG2 3.22Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 3.43Å |
| 190 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | P152 L186 S187 L188 K192 V193 V194 Y230 Q233 I234 | P152-T190 WeakPolarHBondContact CG-OG1 3.44Å; L186-T190 WeakPolarHBondContact O-CB 3.31Å; L186-T190 PolarHBondContact O-N 2.95Å; L186-T190 PolarHBondContact O-OG1 2.74Å; S187-T190 WeakPolarHBondContact O-CB 3.48Å; S187-T190 PolarHBondContact O-N 3.16Å; L188-T190 VanDerWaalsContact C-N 3.28Å; L188-T190 PolarHBondContact O-N 3.46Å; T190-K192 VanDerWaalsContact C-N 3.32Å; T190-K192 PolarHBondContact O-N 2.9Å; T190-V193 PolarHBondContact O-N 3.49Å; T190-V194 WeakPolarHBondContact O-CG2 3.34Å; T190-V194 PolarHBondContact O-N 2.95Å; T190-Y230 HydrophobicContact CG2-CD1 4.5Å; T190-Y230 WeakPolarHBondContact OG1-CB 3.44Å; T190-Y230 WeakPolarHBondContact OG1-CD1 3.49Å; T190-Q233 HydrophobicContact CG2-CB 4.08Å; T190-Q233 HydrophobicContact CG2-CG 3.93Å; T190-I234 HydrophobicContact CG2-CG1 4.03Å |
| 191 | Q | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 24 Ų | 24 | 38% | 0.383 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.6 | -68 | 170.3 | 14.3 | 0 | 0 | 111 | S187 L188 V194 E195 | S187-Q191 WeakPolarHBondContact O-CG 3.47Å; S187-Q191 PolarHBondContact O-N 3.1Å; L188-Q191 PolarHBondContact O-N 3.11Å; Q191-V194 PolarHBondContact O-N 2.95Å; Q191-E195 WeakPolarHBondContact O-CG 3.41Å; Q191-E195 PolarHBondContact O-N 3.15Å |
| 192 | K | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 4% | 0.043 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.2 | -34.7 | -179.4 | -57.4 | -64.3 | 152.6 | -159.7 | 0 | 112.9 | I84 L88 A117 V119 V121 L188 L189 T190 E195 H196 | I84-K192 HydrophobicContact CG2-CB 3.84Å; L88-K192 HydrophobicContact CD2-CG 4.17Å; A117-K192 WeakPolarHBondContact O-CE 3.38Å; V119-K192 HydrophobicContact CG1-CD 3.89Å; V119-K192 PolarHBondContact O-NZ 2.95Å; V121-K192 HydrophobicContact CG2-CB 4.11Å; V121-K192 HydrophobicContact CG2-CD 3.26Å; V121-K192 HydrophobicContact CG2-CG 4.24Å; L188-K192 HydrophobicContact CD1-CG 4.23Å; L188-K192 WeakPolarHBondContact O-CG 3.22Å; L188-K192 PolarHBondContact O-N 2.97Å; L188-K192 VanDerWaalsContact O-N 3.14Å; L189-K192 PolarHBondContact O-N 3.42Å; T190-K192 VanDerWaalsContact C-N 3.32Å; T190-K192 PolarHBondContact O-N 2.9Å; K192-E195 WeakPolarHBondContact CD-OE2 3.26Å; K192-E195 IonicContact NZ-OE1 2.68Å; K192-E195 IonicContact NZ-OE2 3.48Å; K192-E195 PolarHBondContact NZ-OE2 2.73Å; K192-H196 WeakPolarHBondContact O-CB 3.29Å; K192-H196 PolarHBondContact O-N 3.48Å |
| 193 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -46 | 172.4 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I84 A149 G150 L155 L189 T190 H196 L197 I234 | I84-V193 HydrophobicContact CD1-CB 4.34Å; I84-V193 HydrophobicContact CD1-CG2 3.59Å; A149-V193 HydrophobicContact CB-CG1 3.99Å; G150-V193 WeakPolarHBondContact O-CG2 3.36Å; L155-V193 HydrophobicContact CD1-CG2 3.85Å; L189-V193 WeakPolarHBondContact O-CB 3.19Å; L189-V193 VanDerWaalsContact O-CG2 3.22Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 3.43Å; T190-V193 PolarHBondContact O-N 3.49Å; V193-H196 PolarHBondContact O-N 2.84Å; V193-L197 HydrophobicContact CG1-CD1 3.66Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.3Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.14Å; V193-L197 PolarHBondContact O-N 3.42Å; V193-I234 HydrophobicContact CB-CD1 4.26Å; V193-I234 HydrophobicContact CG1-CD1 3.64Å; V193-I234 HydrophobicContact CG1-CG1 4.01Å; V193-I234 HydrophobicContact CG1-CG2 4.3Å |
| 194 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | 177.2 | 170 | 0 | 0 | 0 | 0 | 110.9 | T190 Q191 H196 L197 I198 I234 E237 V238 | T190-V194 WeakPolarHBondContact O-CG2 3.34Å; T190-V194 PolarHBondContact O-N 2.95Å; Q191-V194 PolarHBondContact O-N 2.95Å; V194-H196 VanDerWaalsContact C-N 3.31Å; V194-H196 PolarHBondContact O-N 3.49Å; V194-L197 PolarHBondContact O-N 3.42Å; V194-I198 HydrophobicContact CG1-CD1 3.69Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 WeakPolarHBondContact O-CB 3.31Å; V194-I198 VanDerWaalsContact O-CG1 3.29Å; V194-I198 WeakPolarHBondContact O-CG1 3.5Å; V194-I198 PolarHBondContact O-N 3.15Å; V194-I234 HydrophobicContact CG2-CB 4.48Å; V194-I234 HydrophobicContact CG2-CG1 4.16Å; V194-E237 HydrophobicContact CG1-CB 4.15Å; V194-E237 HydrophobicContact CG1-CG 3.89Å; V194-E237 HydrophobicContact CG2-CB 4.11Å; V194-E237 HydrophobicContact CG2-CG 4.47Å; V194-V238 HydrophobicContact CB-CG2 4.32Å; V194-V238 HydrophobicContact CG1-CG2 4.06Å; V194-V238 HydrophobicContact CG2-CG2 4.24Å |
| 195 | E | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 15.6 Ų | 15.6 | 25% | 0.248 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 176.1 | -73.4 | 169 | -177 | 0 | 0 | 111 | V121 Q191 K192 Q199 | V121-E195 HydrophobicContact CB-CB 4.24Å; V121-E195 HydrophobicContact CG2-CB 4.35Å; V121-E195 VanDerWaalsContact CG2-OE2 3.27Å; V121-E195 WeakPolarHBondContact CG2-OE2 3.36Å; Q191-E195 WeakPolarHBondContact O-CG 3.41Å; Q191-E195 PolarHBondContact O-N 3.15Å; K192-E195 WeakPolarHBondContact CD-OE2 3.26Å; K192-E195 IonicContact NZ-OE1 2.68Å; K192-E195 IonicContact NZ-OE2 3.48Å; K192-E195 PolarHBondContact NZ-OE2 2.73Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 3.36Å; E195-Q199 VanDerWaalsContact O-N 3.12Å |
| 196 | H | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | -179.3 | -175.2 | 52 | 0 | 0 | 0 | 112.2 | I84 V121 L125 Y129 K192 V193 V194 I198 Q199 Q200 | I84-H196 HydrophobicContact CD1-CB 4.16Å; I84-H196 HydrophobicContact CG1-CB 4.47Å; V121-H196 HydrophobicContact CG1-CB 3.93Å; L125-H196 WeakPolarHBondContact CD1-ND1 3.15Å; Y129-H196 AromaticContact CE1-CE1 3.91Å; Y129-H196 AromaticContact CE1-ND1 3.59Å; Y129-H196 AromaticContact CZ-ND1 3.57Å; Y129-H196 PolarHBondContact OH-ND1 3.27Å; K192-H196 WeakPolarHBondContact O-CB 3.29Å; K192-H196 PolarHBondContact O-N 3.48Å; V193-H196 PolarHBondContact O-N 2.84Å; V194-H196 VanDerWaalsContact C-N 3.31Å; V194-H196 PolarHBondContact O-N 3.49Å; H196-I198 PolarHBondContact O-N 3.27Å; H196-Q199 PolarHBondContact O-N 3.21Å; H196-Q200 PolarHBondContact CD2-NE2 2.88Å; H196-Q200 PolarHBondContact CE1-NE2 3Å; H196-Q200 PolarHBondContact NE2-NE2 2.84Å; H196-Q200 WeakPolarHBondContact O-CG 3.35Å; H196-Q200 PolarHBondContact O-N 2.9Å |
| 197 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | -179 | -71.9 | 172.6 | 0 | 0 | 0 | 112.2 | A149 V193 V194 Q199 Q200 V201 L208 V210 I234 V238 | A149-L197 HydrophobicContact CB-CD2 3.83Å; A149-L197 HydrophobicContact CB-CG 4.11Å; V193-L197 HydrophobicContact CG1-CD1 3.66Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CB 3.3Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.14Å; V193-L197 PolarHBondContact O-N 3.42Å; V194-L197 PolarHBondContact O-N 3.42Å; L197-Q199 PolarHBondContact O-N 3.38Å; L197-Q200 WeakPolarHBondContact O-CB 3.4Å; L197-Q200 PolarHBondContact O-N 3.04Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.92Å; L197-V201 VanDerWaalsContact O-N 3.11Å; L197-L208 HydrophobicContact CB-CD1 4.09Å; L197-L208 HydrophobicContact CD2-CB 4.33Å; L197-L208 HydrophobicContact CD2-CD1 4.35Å; L197-L208 HydrophobicContact CD2-CD2 4Å; L197-L208 HydrophobicContact CD2-CG 4.46Å; L197-V210 HydrophobicContact CD1-CG2 3.97Å; L197-I234 HydrophobicContact CD1-CG2 3.63Å; L197-V238 HydrophobicContact CB-CG2 4.03Å; L197-V238 HydrophobicContact CD1-CG2 4.14Å |
| 198 | I | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 175.1 | -72.4 | 167.6 | 0 | 0 | 0 | 110.3 | V194 H196 Q200 V201 L202 V238 R241 L242 Y246 | V194-I198 HydrophobicContact CG1-CD1 3.69Å; V194-I198 HydrophobicContact CG1-CG1 4.49Å; V194-I198 WeakPolarHBondContact O-CB 3.31Å; V194-I198 VanDerWaalsContact O-CG1 3.29Å; V194-I198 WeakPolarHBondContact O-CG1 3.5Å; V194-I198 PolarHBondContact O-N 3.15Å; H196-I198 PolarHBondContact O-N 3.27Å; I198-Q200 VanDerWaalsContact C-N 3.26Å; I198-Q200 PolarHBondContact O-N 3.28Å; I198-V201 WeakPolarHBondContact O-CB 3.21Å; I198-V201 PolarHBondContact O-N 3.4Å; I198-V201 VanDerWaalsContact O-N 3.1Å; I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 WeakPolarHBondContact O-CG 3.35Å; I198-L202 PolarHBondContact O-N 3.48Å; I198-V238 HydrophobicContact CG1-CG1 4.28Å; I198-V238 HydrophobicContact CG1-CG2 4.38Å; I198-R241 HydrophobicContact CD1-CB 3.58Å; I198-R241 HydrophobicContact CD1-CG 4.26Å; I198-L242 HydrophobicContact CG1-CD2 4.42Å; I198-L242 HydrophobicContact CG1-CG 4.3Å; I198-L242 HydrophobicContact CG2-CD2 4.03Å; I198-Y246 HydrophobicContact CG2-CD2 3.86Å; I198-Y246 HydrophobicContact CG2-CE2 3.47Å; I198-Y246 VanDerWaalsContact CG2-CE2 3.47Å |
| 199 | Q | 98.5 | Very high | 98.6 | Very high | 20 Ų | 20 | 13.6 Ų | 13.6 | 9% | 0.093 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -34.1 | 179.1 | -67.5 | -54.5 | -48.9 | 0 | 0 | 112.2 | R122 Y129 E195 H196 L197 L202 S203 | R122-Q199 HydrophobicContact CB-CG 4.2Å; R122-Q199 HydrophobicContact CG-CG 4.27Å; Y129-Q199 HydrophobicContact CD1-CB 3.8Å; Y129-Q199 HydrophobicContact CD2-CB 4.14Å; Y129-Q199 HydrophobicContact CE1-CB 3.28Å; Y129-Q199 HydrophobicContact CE1-CG 4.42Å; Y129-Q199 HydrophobicContact CE2-CB 3.77Å; Y129-Q199 HydrophobicContact CE2-CG 4.16Å; Y129-Q199 HydrophobicContact CG-CB 4.21Å; Y129-Q199 WeakPolarHBondContact OH-CB 3.34Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 3.36Å; E195-Q199 VanDerWaalsContact O-N 3.12Å; H196-Q199 PolarHBondContact O-N 3.21Å; L197-Q199 PolarHBondContact O-N 3.38Å; Q199-L202 PolarHBondContact O-N 3.49Å; Q199-S203 VanDerWaalsContact O-CB 3.29Å; Q199-S203 WeakPolarHBondContact O-CB 3.43Å; Q199-S203 PolarHBondContact O-N 3.29Å; Q199-S203 PolarHBondContact O-OG 3.46Å |
| 200 | Q | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 172.9 | -66.8 | -168.6 | 45 | 0 | 0 | 112.4 | Y129 I132 G147 F148 H196 L197 I198 S203 G204 A205 L208 | Y129-Q200 HydrophobicContact CD1-CG 4.29Å; Y129-Q200 HydrophobicContact CE1-CG 3.97Å; I132-Q200 HydrophobicContact CD1-CB 3.59Å; I132-Q200 HydrophobicContact CD1-CG 3.41Å; I132-Q200 VanDerWaalsContact CD1-CG 3.41Å; G147-Q200 VanDerWaalsContact C-OE1 3.28Å; F148-Q200 PolarHBondContact O-NE2 2.83Å; H196-Q200 PolarHBondContact CD2-NE2 2.88Å; H196-Q200 PolarHBondContact CE1-NE2 3Å; H196-Q200 PolarHBondContact NE2-NE2 2.84Å; H196-Q200 WeakPolarHBondContact O-CG 3.35Å; H196-Q200 PolarHBondContact O-N 2.9Å; L197-Q200 WeakPolarHBondContact O-CB 3.4Å; L197-Q200 PolarHBondContact O-N 3.04Å; I198-Q200 VanDerWaalsContact C-N 3.26Å; I198-Q200 PolarHBondContact O-N 3.28Å; Q200-S203 CarbonylContact O-C 3.58Å; Q200-S203 PolarHBondContact O-N 2.96Å; Q200-G204 PolarHBondContact O-N 3.3Å; Q200-A205 HydrophobicContact CB-CB 4.14Å; Q200-A205 VanDerWaalsContact O-CB 3.29Å; Q200-A205 WeakPolarHBondContact O-CB 3.32Å; Q200-A205 PolarHBondContact O-N 2.79Å; Q200-L208 HydrophobicContact CB-CD2 4.28Å |
| 201 | V | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 10% | 0.097 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | L197 I198 S203 G204 L208 L242 I248 P254 | L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.92Å; L197-V201 VanDerWaalsContact O-N 3.11Å; I198-V201 WeakPolarHBondContact O-CB 3.21Å; I198-V201 PolarHBondContact O-N 3.4Å; I198-V201 VanDerWaalsContact O-N 3.1Å; V201-S203 PolarHBondContact O-N 3.49Å; V201-S203 VanDerWaalsContact O-N 3.16Å; V201-G204 PolarHBondContact O-N 3.06Å; V201-L208 HydrophobicContact CG2-CD1 3.62Å; V201-L208 HydrophobicContact CG2-CD2 3.94Å; V201-L208 HydrophobicContact CG2-CG 3.97Å; V201-L242 HydrophobicContact CB-CD1 4.31Å; V201-L242 HydrophobicContact CB-CD2 4.06Å; V201-L242 HydrophobicContact CG1-CD1 4.16Å; V201-L242 HydrophobicContact CG1-CD2 3.95Å; V201-L242 HydrophobicContact CG2-CD1 4.05Å; V201-I248 HydrophobicContact CG1-CD1 4.36Å; V201-P254 HydrophobicContact CB-CG 4.32Å; V201-P254 HydrophobicContact CG1-CG 3.66Å; V201-P254 HydrophobicContact CG2-CB 4.5Å; V201-P254 HydrophobicContact CG2-CG 3.75Å |
| 202 | L | 97.4 | Very high | 98.6 | Very high | 54 Ų | 54 | 10.9 Ų | 10.9 | 28% | 0.283 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -60.4 | -26.8 | 177.9 | -61.8 | 174.4 | 0 | 0 | 0 | 112.4 | I198 Q199 Y246 I248 | I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.34Å; I198-L202 WeakPolarHBondContact O-CG 3.35Å; I198-L202 PolarHBondContact O-N 3.48Å; Q199-L202 PolarHBondContact O-N 3.49Å; L202-Y246 HydrophobicContact CD1-CD1 3.53Å; L202-Y246 HydrophobicContact CD1-CE1 3.43Å; L202-Y246 VanDerWaalsContact CD1-CE1 3.43Å; L202-Y246 HydrophobicContact CD1-CG 4.21Å; L202-Y246 HydrophobicContact CD2-CD1 3.88Å; L202-Y246 HydrophobicContact CD2-CG 4.11Å; L202-Y246 HydrophobicContact CG-CD1 4.33Å; L202-I248 HydrophobicContact CD2-CD1 3.93Å |
| 203 | S | 98.1 | Very high | 98.6 | Very high | 13 Ų | 13 | 11.4 Ų | 11.4 | 9% | 0.091 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.3 | 178.1 | -54 | 0 | 0 | 0 | 0 | 113.9 | F5 Y129 I132 T133 Q199 Q200 V201 | F5-S203 WeakPolarHBondContact CZ-O 3.49Å; Y129-S203 VanDerWaalsContact CB-OG 3.23Å; Y129-S203 WeakPolarHBondContact CB-OG 3.44Å; I132-S203 WeakPolarHBondContact CG2-O 3.33Å; T133-S203 VanDerWaalsContact CA-O 3.24Å; T133-S203 WeakPolarHBondContact CA-O 3.41Å; T133-S203 PolarHBondContact N-O 2.7Å; T133-S203 PolarHBondContact OG1-O 2.95Å; Q199-S203 VanDerWaalsContact O-CB 3.29Å; Q199-S203 WeakPolarHBondContact O-CB 3.43Å; Q199-S203 PolarHBondContact O-N 3.29Å; Q199-S203 PolarHBondContact O-OG 3.46Å; Q200-S203 CarbonylContact O-C 3.58Å; Q200-S203 PolarHBondContact O-N 2.96Å; V201-S203 PolarHBondContact O-N 3.49Å; V201-S203 VanDerWaalsContact O-N 3.16Å |
| 204 | G | 98.1 | Very high | 98.6 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.7 | 8.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R136 Q200 V201 | R136-G204 PolarHBondContact NH1-O 3.49Å; Q200-G204 PolarHBondContact O-N 3.3Å; V201-G204 PolarHBondContact O-N 3.06Å |
| 205 | A | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 4% | 0.041 | 6% | 0.063 | C | C | . | . | trans | -65.7 | 140.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I132 Q200 L208 | I132-A205 HydrophobicContact CG2-CB 4.41Å; Q200-A205 HydrophobicContact CB-CB 4.14Å; Q200-A205 VanDerWaalsContact O-CB 3.29Å; Q200-A205 WeakPolarHBondContact O-CB 3.32Å; Q200-A205 PolarHBondContact O-N 2.79Å; A205-L208 HydrophobicContact CB-CD2 4.15Å | ||
| 206 | Q | 98.6 | Very high | 98.6 | Very high | 23 Ų | 23 | 10.8 Ų | 10.8 | 11% | 0.107 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -116.3 | -13.7 | -174.1 | -65.7 | 173.9 | -96.7 | 0 | 0 | 113.8 | I14 P144 L145 P254 P255 | I14-Q206 HydrophobicContact CD1-CB 4.14Å; P144-Q206 VanDerWaalsContact CA-OE1 3.31Å; P144-Q206 HydrophobicContact CB-CB 4Å; L145-Q206 PolarHBondContact O-N 2.98Å; Q206-P254 WeakPolarHBondContact O-CB 3.48Å; Q206-P255 WeakPolarHBondContact O-CD 3.28Å |
| 207 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158.6 | 163.9 | -61 | 91 | 0 | 0 | 0 | 107.2 | I13 I14 A17 P144 L145 I146 G147 P255 I257 | I13-L207 HydrophobicContact CD1-CD2 4.38Å; I13-L207 HydrophobicContact CG1-CD2 4.17Å; I13-L207 HydrophobicContact CG2-CD1 4.08Å; I14-L207 HydrophobicContact CD1-CD1 4.48Å; I14-L207 HydrophobicContact CG1-CD1 3.78Å; I14-L207 HydrophobicContact CG1-CG 4.32Å; A17-L207 HydrophobicContact CB-CD2 4.27Å; P144-L207 HydrophobicContact CB-CD1 3.56Å; P144-L207 HydrophobicContact CG-CD1 4.4Å; L145-L207 PolarHBondContact O-N 2.66Å; I146-L207 WeakPolarHBondContact CA-O 3.35Å; I146-L207 HydrophobicContact CG1-CB 4.15Å; I146-L207 HydrophobicContact CG1-CD1 4.27Å; I146-L207 HydrophobicContact CG2-CB 4.48Å; G147-L207 PolarHBondContact N-O 3.32Å; L207-P255 WeakPolarHBondContact CA-O 3.13Å; L207-P255 HydrophobicContact CD2-CB 4.48Å; L207-I257 HydrophobicContact CD2-CD1 4.25Å |
| 208 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.6 | 175 | -63.8 | 174.5 | 0 | 0 | 0 | 110.3 | G147 L197 Q200 V201 A205 V238 P254 P255 L256 I257 | G147-L208 CarbonylContact O-C 3.59Å; G147-L208 VanDerWaalsContact O-CA 3.29Å; G147-L208 WeakPolarHBondContact O-CA 3.24Å; L197-L208 HydrophobicContact CB-CD1 4.09Å; L197-L208 HydrophobicContact CD2-CB 4.33Å; L197-L208 HydrophobicContact CD2-CD1 4.35Å; L197-L208 HydrophobicContact CD2-CD2 4Å; L197-L208 HydrophobicContact CD2-CG 4.46Å; Q200-L208 HydrophobicContact CB-CD2 4.28Å; V201-L208 HydrophobicContact CG2-CD1 3.62Å; V201-L208 HydrophobicContact CG2-CD2 3.94Å; V201-L208 HydrophobicContact CG2-CG 3.97Å; A205-L208 HydrophobicContact CB-CD2 4.15Å; L208-V238 HydrophobicContact CD1-CG1 4.01Å; L208-P254 HydrophobicContact CG-CB 4.49Å; L208-P255 PolarHBondContact N-O 3.42Å; L208-L256 HydrophobicContact CB-CG 4.36Å; L208-L256 HydrophobicContact CD1-CG 4.43Å; L208-L256 CarbonylContact O-C 3.16Å; L208-L256 WeakPolarHBondContact O-CA 3.4Å; L208-I257 PolarHBondContact O-N 3.12Å |
| 209 | Q | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129 | 172 | -173.8 | 159.8 | -63 | 0 | 0 | 112.3 | I146 G147 F148 A149 F211 I257 | I146-Q209 HydrophobicContact CG2-CB 4.3Å; G147-Q209 PolarHBondContact O-N 3.3Å; F148-Q209 CarbonylContact C-O 3.48Å; F148-Q209 WeakPolarHBondContact CA-O 3.4Å; F148-Q209 HydrophobicContact CB-CB 4.36Å; F148-Q209 VanDerWaalsContact CB-O 3.26Å; F148-Q209 WeakPolarHBondContact CB-O 3.36Å; A149-Q209 PolarHBondContact N-O 3.2Å; Q209-F211 HydrophobicContact CB-CD2 4.43Å; Q209-F211 HydrophobicContact CB-CE2 3.98Å; Q209-F211 HydrophobicContact CG-CD2 4.01Å; Q209-F211 HydrophobicContact CG-CE2 3.75Å; Q209-F211 HydrophobicContact CG-CZ 4.09Å; Q209-I257 CarbonylContact C-O 3.57Å; Q209-I257 WeakPolarHBondContact CA-O 3.35Å; Q209-I257 HydrophobicContact CB-CB 4.11Å; Q209-I257 HydrophobicContact CG-CB 4.03Å; Q209-I257 HydrophobicContact CG-CG2 4.1Å |
| 210 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.2 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | A151 L197 E212 L231 I234 I257 F259 Y275 | A151-V210 HydrophobicContact CB-CG1 3.71Å; L197-V210 HydrophobicContact CD1-CG2 3.97Å; V210-E212 PolarHBondContact O-N 3.13Å; V210-L231 HydrophobicContact CG1-CD2 3.81Å; V210-I234 HydrophobicContact CG1-CD1 4.43Å; V210-I234 HydrophobicContact CG2-CG2 4Å; V210-I257 PolarHBondContact N-O 3.1Å; V210-F259 PolarHBondContact O-N 3.09Å; V210-Y275 HydrophobicContact CB-CE1 4.25Å; V210-Y275 HydrophobicContact CG2-CE1 4.02Å |
| 211 | F | 98.9 | Very high | 98.5 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 11% | 0.11 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 97.8 | -177 | -74.1 | -95.6 | 0 | 0 | 0 | 111.1 | M30 I76 I81 F148 A149 A151 Q209 S213 F259 | M30-F211 HydrophobicContact CG-CE1 4.39Å; M30-F211 HydrophobicContact SD-CE1 3.9Å; I76-F211 HydrophobicContact CD1-CE2 4.29Å; I76-F211 HydrophobicContact CD1-CZ 4.18Å; I81-F211 HydrophobicContact CG2-CB 4.49Å; F148-F211 HydrophobicContact CB-CD2 3.94Å; F148-F211 HydrophobicContact CB-CE2 3.55Å; F148-F211 AromaticContact CD2-CD2 3.75Å; F148-F211 HydrophobicContact CD2-CD2 3.75Å; F148-F211 AromaticContact CD2-CE2 3.67Å; F148-F211 HydrophobicContact CD2-CE2 3.67Å; F148-F211 HydrophobicContact CG-CD2 4.21Å; F148-F211 AromaticContact CG-CE2 3.79Å; F148-F211 HydrophobicContact CG-CE2 3.79Å; A149-F211 PolarHBondContact O-N 3.02Å; A151-F211 WeakPolarHBondContact CB-O 3.31Å; A151-F211 PolarHBondContact N-O 3.3Å; Q209-F211 HydrophobicContact CB-CD2 4.43Å; Q209-F211 HydrophobicContact CB-CE2 3.98Å; Q209-F211 HydrophobicContact CG-CD2 4.01Å; Q209-F211 HydrophobicContact CG-CE2 3.75Å; Q209-F211 HydrophobicContact CG-CZ 4.09Å; F211-S213 VanDerWaalsContact C-N 3.3Å; F211-S213 PolarHBondContact O-N 2.94Å; F211-F259 AromaticContact CD1-CD1 3.74Å; F211-F259 HydrophobicContact CD1-CD1 3.74Å; F211-F259 HydrophobicContact CD1-CE1 4.45Å; F211-F259 HydrophobicContact CE1-CD1 4.21Å |
| 212 | E | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 65.5 | 167.3 | -168.6 | 60.4 | -89.9 | 0 | 0 | 109.9 | A151 W153 T154 V210 H214 A215 C227 L231 F259 A260 K261 | A151-E212 HydrophobicContact CB-CB 3.66Å; A151-E212 HydrophobicContact CB-CG 4.11Å; A151-E212 WeakPolarHBondContact CB-OE2 3.5Å; W153-E212 VanDerWaalsContact CD1-OE1 3.25Å; T154-E212 VanDerWaalsContact CB-OE1 3.29Å; T154-E212 WeakPolarHBondContact CB-OE1 3.43Å; T154-E212 PolarHBondContact N-OE1 3.41Å; T154-E212 PolarHBondContact OG1-OE1 3.48Å; V210-E212 PolarHBondContact O-N 3.13Å; E212-H214 PolarHBondContact O-N 3.14Å; E212-A215 HydrophobicContact CG-CB 4.02Å; E212-A215 PolarHBondContact O-N 3.13Å; E212-C227 VanDerWaalsContact CD-SG 3.55Å; E212-C227 PolarHBondContact OE2-SG 3.25Å; E212-L231 HydrophobicContact CG-CD1 4.49Å; E212-F259 CarbonylContact C-O 3.6Å; E212-F259 WeakPolarHBondContact CA-O 3.48Å; E212-F259 PolarHBondContact N-O 3.02Å; E212-A260 HydrophobicContact CB-CB 4.37Å; E212-A260 WeakPolarHBondContact O-CA 3.47Å; E212-K261 PolarHBondContact O-N 2.89Å; E212-K261 VanDerWaalsContact O-N 3.14Å |
| 213 | S | 98.2 | Very high | 98.6 | Very high | 21 Ų | 21 | 22.2 Ų | 22.2 | 15% | 0.147 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.6 | -171.3 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | T154 F211 | T154-S213 PolarHBondContact OG1-N 3Å; F211-S213 VanDerWaalsContact C-N 3.3Å; F211-S213 PolarHBondContact O-N 2.94Å |
| 214 | H | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 21.6 | -177.4 | -55.2 | 163.2 | 0 | 0 | 0 | 113 | W153 T154 S157 Y158 Y168 E212 G216 F217 | W153-H214 PolarHBondContact NE1-O 3.39Å; T154-H214 PolarHBondContact OG1-N 3Å; T154-H214 VanDerWaalsContact OG1-N 3.11Å; S157-H214 PolarHBondContact OG-ND1 2.97Å; Y158-H214 AromaticContact CD2-CE1 3.51Å; Y158-H214 AromaticContact CE2-CE1 3.07Å; Y158-H214 WeakPolarHBondContact CE2-CE1 3.36Å; Y158-H214 AromaticContact CE2-NE2 3.52Å; Y158-H214 AromaticContact CZ-CE1 3.49Å; Y158-H214 VanDerWaalsContact CZ-CE1 3.49Å; Y158-H214 AromaticContact CZ-NE2 3.69Å; Y158-H214 PolarHBondContact OH-NE2 2.96Å; Y168-H214 AromaticContact CE1-CE1 3.57Å; Y168-H214 AromaticContact CE1-ND1 3.53Å; Y168-H214 HydrophobicContact CE2-CB 4.46Å; Y168-H214 AromaticContact CZ-CD2 3.8Å; Y168-H214 AromaticContact CZ-CE1 3.35Å; Y168-H214 AromaticContact CZ-CG 3.75Å; Y168-H214 AromaticContact CZ-ND1 3.47Å; Y168-H214 AromaticContact CZ-NE2 3.6Å; Y168-H214 PolarHBondContact OH-CE1 2.81Å; Y168-H214 PolarHBondContact OH-NE2 2.98Å; E212-H214 PolarHBondContact O-N 3.14Å; H214-G216 PolarHBondContact O-N 3.08Å; H214-F217 HydrophobicContact CB-CD2 4.04Å; H214-F217 PolarHBondContact O-N 2.87Å |
| 215 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -56.4 | -47.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E212 F217 L218 F223 A260 K261 Y265 | E212-A215 HydrophobicContact CG-CB 4.02Å; E212-A215 PolarHBondContact O-N 3.13Å; A215-F217 PolarHBondContact O-N 3.26Å; A215-L218 WeakPolarHBondContact O-CB 3.47Å; A215-L218 PolarHBondContact O-N 3.06Å; A215-F223 HydrophobicContact CB-CD2 4.28Å; A215-F223 HydrophobicContact CB-CE2 3.91Å; A215-A260 HydrophobicContact CB-CB 3.91Å; A215-K261 WeakPolarHBondContact CB-O 3.32Å; A215-Y265 PolarHBondContact O-OH 2.95Å |
| 216 | G | 98.2 | Very high | 98.6 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 32% | 0.32 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -55.6 | -13.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | H214 L218 K261 | H214-G216 PolarHBondContact O-N 3.08Å; G216-L218 VanDerWaalsContact C-N 3.32Å; G216-K261 PolarHBondContact N-O 3.32Å; G216-K261 VanDerWaalsContact N-O 3.14Å |
| 217 | F | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 25.9 Ų | 25.9 | 25% | 0.254 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -83.1 | -12.1 | 176.9 | -64 | -78.8 | 0 | 0 | 0 | 113.3 | N166 Y168 K172 H214 A215 | N166-F217 WeakPolarHBondContact O-CE1 3.31Å; Y168-F217 HydrophobicContact CD2-CB 4.21Å; Y168-F217 AromaticContact CD2-CD1 3.69Å; Y168-F217 HydrophobicContact CD2-CD1 3.69Å; Y168-F217 AromaticContact CD2-CD2 3.31Å; Y168-F217 HydrophobicContact CD2-CD2 3.31Å; Y168-F217 AromaticContact CD2-CE1 3.81Å; Y168-F217 HydrophobicContact CD2-CE1 3.81Å; Y168-F217 AromaticContact CD2-CE2 3.45Å; Y168-F217 HydrophobicContact CD2-CE2 3.45Å; Y168-F217 VanDerWaalsContact CD2-CE2 3.45Å; Y168-F217 AromaticContact CD2-CG 3.43Å; Y168-F217 HydrophobicContact CD2-CG 3.43Å; Y168-F217 VanDerWaalsContact CD2-CG 3.43Å; Y168-F217 AromaticContact CD2-CZ 3.69Å; Y168-F217 HydrophobicContact CD2-CZ 3.69Å; Y168-F217 HydrophobicContact CE2-CD1 4.39Å; Y168-F217 AromaticContact CE2-CD2 3.53Å; Y168-F217 HydrophobicContact CE2-CD2 3.53Å; Y168-F217 HydrophobicContact CE2-CE1 4.12Å; Y168-F217 AromaticContact CE2-CE2 3.21Å; Y168-F217 HydrophobicContact CE2-CE2 3.21Å; Y168-F217 HydrophobicContact CE2-CG 4.12Å; Y168-F217 AromaticContact CE2-CZ 3.53Å; Y168-F217 HydrophobicContact CE2-CZ 3.53Å; Y168-F217 HydrophobicContact CG-CD2 4.39Å; Y168-F217 HydrophobicContact CG-CG 4.35Å; K172-F217 WeakPolarHBondContact CD-O 3.49Å; K172-F217 WeakPolarHBondContact CE-O 3.41Å; K172-F217 PolarHBondContact NZ-O 3.34Å; H214-F217 HydrophobicContact CB-CD2 4.04Å; H214-F217 PolarHBondContact O-N 2.87Å; A215-F217 PolarHBondContact O-N 3.26Å |
| 218 | L | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -95.5 | 145.9 | -179.3 | -59.8 | -173.5 | 0 | 0 | 0 | 111.4 | W153 K172 L175 A215 G216 L222 F223 C227 Y265 | W153-L218 HydrophobicContact CD2-CD1 3.98Å; W153-L218 HydrophobicContact CD2-CD2 4.33Å; W153-L218 HydrophobicContact CD2-CG 4.43Å; W153-L218 HydrophobicContact CG-CD1 3.97Å; W153-L218 HydrophobicContact CH2-CD2 3.9Å; W153-L218 HydrophobicContact CZ2-CD1 4.48Å; W153-L218 HydrophobicContact CZ2-CD2 3.45Å; W153-L218 VanDerWaalsContact CZ2-CD2 3.45Å; W153-L218 HydrophobicContact CZ2-CG 4.05Å; K172-L218 HydrophobicContact CG-CD2 4.31Å; L175-L218 HydrophobicContact CD1-CD2 3.74Å; A215-L218 WeakPolarHBondContact O-CB 3.47Å; A215-L218 PolarHBondContact O-N 3.06Å; G216-L218 VanDerWaalsContact C-N 3.32Å; L218-L222 HydrophobicContact CB-CB 4.14Å; L218-L222 HydrophobicContact CD2-CB 4.05Å; L218-L222 HydrophobicContact CD2-CD1 4.11Å; L218-F223 HydrophobicContact CB-CB 4.18Å; L218-F223 HydrophobicContact CD1-CB 4.35Å; L218-F223 HydrophobicContact CD1-CD2 4.42Å; L218-C227 HydrophobicContact CD1-CB 4.12Å; L218-Y265 PolarHBondContact O-OH 3.26Å |
| 219 | S | 98.1 | Very high | 98.6 | Very high | 44 Ų | 44 | 29 Ų | 29 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | trans | -72.6 | 163 | 162.9 | 65.5 | 0 | 0 | 0 | 0 | 110 | Y221 L222 F223 | S219-Y221 PolarHBondContact O-N 3.04Å; S219-L222 PolarHBondContact O-N 3.33Å; S219-L222 VanDerWaalsContact O-N 3.13Å; S219-L222 PolarHBondContact OG-N 3.28Å; S219-F223 WeakPolarHBondContact O-CB 3.44Å; S219-F223 PolarHBondContact O-N 3.3Å | ||
| 220 | P | 98.4 | Very high | 98.6 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 44% | 0.442 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.9 | -38.8 | 172.8 | -27.6 | 34.8 | 0 | 0 | 0 | 112.9 | N224 Y265 | P220-N224 VanDerWaalsContact O-CB 3.32Å; P220-N224 WeakPolarHBondContact O-CB 3.38Å; P220-N224 VanDerWaalsContact O-CG 3.22Å; P220-N224 PolarHBondContact O-N 3.27Å; P220-N224 PolarHBondContact O-ND2 2.8Å; P220-Y265 HydrophobicContact CB-CD2 4.09Å; P220-Y265 HydrophobicContact CG-CD2 3.81Å; P220-Y265 HydrophobicContact CG-CG 4.09Å |
| 221 | Y | 98.4 | Very high | 98.6 | Very high | 156 Ų | 156 | 30.1 Ų | 30.1 | 61% | 0.612 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -59.5 | -56.3 | 175 | 172 | -100.4 | 0 | 0 | 0 | 111.7 | S219 F223 N224 T225 | S219-Y221 PolarHBondContact O-N 3.04Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 2.73Å; Y221-N224 PolarHBondContact O-N 2.87Å; Y221-T225 PolarHBondContact O-N 3.26Å; Y221-T225 PolarHBondContact O-OG1 2.89Å; Y221-T225 VanDerWaalsContact O-OG1 3.06Å |
| 222 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | -178.4 | -70.3 | -179.7 | 0 | 0 | 0 | 112.2 | L175 Y176 L218 S219 T225 F226 | L175-L222 HydrophobicContact CB-CD2 4.18Å; L175-L222 HydrophobicContact CD1-CB 4.47Å; L175-L222 HydrophobicContact CD1-CD1 4.2Å; L175-L222 HydrophobicContact CD1-CD2 4.35Å; Y176-L222 HydrophobicContact CE1-CD2 4.18Å; Y176-L222 HydrophobicContact CE2-CD1 3.82Å; Y176-L222 WeakPolarHBondContact OH-CD1 3.49Å; L218-L222 HydrophobicContact CB-CB 4.14Å; L218-L222 HydrophobicContact CD2-CB 4.05Å; L218-L222 HydrophobicContact CD2-CD1 4.11Å; S219-L222 PolarHBondContact O-N 3.33Å; S219-L222 VanDerWaalsContact O-N 3.13Å; S219-L222 PolarHBondContact OG-N 3.28Å; L222-T225 PolarHBondContact O-N 2.94Å; L222-F226 HydrophobicContact CD2-CD2 3.88Å; L222-F226 HydrophobicContact CD2-CE2 3.83Å; L222-F226 WeakPolarHBondContact O-CB 2.85Å; L222-F226 PolarHBondContact O-N 3.37Å |
| 223 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.5 | -175.8 | -86.9 | 0 | 0 | 0 | 111.3 | A215 L218 S219 Y221 T225 C227 L228 L231 Y265 A266 L270 | A215-F223 HydrophobicContact CB-CD2 4.28Å; A215-F223 HydrophobicContact CB-CE2 3.91Å; L218-F223 HydrophobicContact CB-CB 4.18Å; L218-F223 HydrophobicContact CD1-CB 4.35Å; L218-F223 HydrophobicContact CD1-CD2 4.42Å; S219-F223 WeakPolarHBondContact O-CB 3.44Å; S219-F223 PolarHBondContact O-N 3.3Å; Y221-F223 VanDerWaalsContact C-N 3.32Å; Y221-F223 PolarHBondContact O-N 2.73Å; F223-T225 VanDerWaalsContact C-N 3.25Å; F223-T225 PolarHBondContact O-N 3.14Å; F223-C227 HydrophobicContact CD2-CB 3.8Å; F223-C227 HydrophobicContact CE2-CB 4.03Å; F223-C227 WeakPolarHBondContact CE2-SG 3.23Å; F223-C227 HydrophobicContact CG-CB 4.14Å; F223-C227 WeakPolarHBondContact O-CA 3.19Å; F223-C227 VanDerWaalsContact O-CB 3.31Å; F223-C227 WeakPolarHBondContact O-CB 3.25Å; F223-C227 PolarHBondContact O-N 3.13Å; F223-L228 HydrophobicContact CD1-CB 4.11Å; F223-L228 HydrophobicContact CE1-CB 3.87Å; F223-L228 HydrophobicContact CE1-CD1 4.18Å; F223-L228 PolarHBondContact O-N 3.19Å; F223-L231 HydrophobicContact CZ-CD1 4.09Å; F223-Y265 HydrophobicContact CB-CE2 3.7Å; F223-Y265 HydrophobicContact CD1-CE2 4.36Å; F223-Y265 HydrophobicContact CD2-CE2 4.19Å; F223-Y265 WeakPolarHBondContact CD2-OH 3.26Å; F223-Y265 AromaticContact CG-CE2 3.83Å; F223-Y265 HydrophobicContact CG-CE2 3.83Å; F223-A266 HydrophobicContact CD1-CB 3.82Å; F223-A266 HydrophobicContact CE1-CB 3.46Å; F223-A266 VanDerWaalsContact CE1-CB 3.46Å; F223-A266 HydrophobicContact CE2-CB 4.3Å; F223-A266 HydrophobicContact CG-CB 4.4Å; F223-A266 HydrophobicContact CZ-CB 3.73Å; F223-L270 HydrophobicContact CZ-CD1 4.5Å; F223-L270 HydrophobicContact CZ-CD2 4.13Å; F223-L270 HydrophobicContact CZ-CG 4.36Å |
| 224 | N | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 34 Ų | 34 | 37% | 0.369 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.5 | -26.1 | 179.5 | -72.3 | -23 | 0 | 0 | 0 | 113 | P220 Y221 P229 | P220-N224 VanDerWaalsContact O-CB 3.32Å; P220-N224 WeakPolarHBondContact O-CB 3.38Å; P220-N224 VanDerWaalsContact O-CG 3.22Å; P220-N224 PolarHBondContact O-N 3.27Å; P220-N224 PolarHBondContact O-ND2 2.8Å; Y221-N224 PolarHBondContact O-N 2.87Å; N224-P229 WeakPolarHBondContact O-CD 3.3Å; N224-P229 WeakPolarHBondContact O-CG 3.45Å |
| 225 | T | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -88.3 | -42.1 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 113.5 | Y221 L222 F223 | Y221-T225 PolarHBondContact O-N 3.26Å; Y221-T225 PolarHBondContact O-OG1 2.89Å; Y221-T225 VanDerWaalsContact O-OG1 3.06Å; L222-T225 PolarHBondContact O-N 2.94Å; F223-T225 VanDerWaalsContact C-N 3.25Å; F223-T225 PolarHBondContact O-N 3.14Å |
| 226 | F | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -118 | -2 | -166.7 | -64.1 | -77.2 | 0 | 0 | 0 | 114.8 | L175 P179 Q183 L186 L222 Y230 | L175-F226 HydrophobicContact CB-CD2 4.12Å; L175-F226 HydrophobicContact CB-CE2 4.02Å; L175-F226 HydrophobicContact CB-CZ 4.36Å; L175-F226 HydrophobicContact CD1-CB 4.26Å; L175-F226 HydrophobicContact CD1-CD2 4.12Å; L175-F226 HydrophobicContact CD1-CG 4.3Å; L175-F226 HydrophobicContact CD2-CB 4.02Å; L175-F226 HydrophobicContact CD2-CD1 3.86Å; L175-F226 HydrophobicContact CD2-CD2 4.17Å; L175-F226 HydrophobicContact CD2-CE1 4.32Å; L175-F226 HydrophobicContact CD2-CG 3.76Å; L175-F226 HydrophobicContact CG-CD2 4.36Å; L175-F226 HydrophobicContact CG-CG 4.43Å; L175-F226 WeakPolarHBondContact O-CZ 3.46Å; P179-F226 HydrophobicContact CB-CE1 4.29Å; P179-F226 HydrophobicContact CB-CZ 3.96Å; Q183-F226 HydrophobicContact CG-CD1 4.29Å; Q183-F226 HydrophobicContact CG-CE1 4.03Å; L186-F226 HydrophobicContact CD1-CB 3.96Å; L186-F226 HydrophobicContact CD1-CD1 3.92Å; L186-F226 HydrophobicContact CD1-CG 4.44Å; L186-F226 WeakPolarHBondContact CD1-O 3.01Å; L222-F226 HydrophobicContact CD2-CD2 3.88Å; L222-F226 HydrophobicContact CD2-CE2 3.83Å; L222-F226 WeakPolarHBondContact O-CB 2.85Å; L222-F226 PolarHBondContact O-N 3.37Å; F226-Y230 VanDerWaalsContact O-CD2 3.31Å; F226-Y230 WeakPolarHBondContact O-CD2 3.36Å; F226-Y230 WeakPolarHBondContact O-CE2 3.24Å |
| 227 | C | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -60.9 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | W153 E212 L218 F223 P229 Y230 L231 | W153-C227 HydrophobicContact CB-CB 4.29Å; E212-C227 VanDerWaalsContact CD-SG 3.55Å; E212-C227 PolarHBondContact OE2-SG 3.25Å; L218-C227 HydrophobicContact CD1-CB 4.12Å; F223-C227 HydrophobicContact CD2-CB 3.8Å; F223-C227 HydrophobicContact CE2-CB 4.03Å; F223-C227 WeakPolarHBondContact CE2-SG 3.23Å; F223-C227 HydrophobicContact CG-CB 4.14Å; F223-C227 WeakPolarHBondContact O-CA 3.19Å; F223-C227 VanDerWaalsContact O-CB 3.31Å; F223-C227 WeakPolarHBondContact O-CB 3.25Å; F223-C227 PolarHBondContact O-N 3.13Å; C227-P229 VanDerWaalsContact C-CD 3.44Å; C227-Y230 PolarHBondContact O-N 3.47Å; C227-Y230 VanDerWaalsContact O-N 3.09Å; C227-L231 PolarHBondContact O-N 3.15Å; C227-L231 VanDerWaalsContact O-N 3.1Å |
| 228 | L | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.3 | -42.4 | -174.9 | -176.9 | 68 | 0 | 0 | 0 | 114.5 | F223 Y230 L231 K232 E269 L270 A273 | F223-L228 HydrophobicContact CD1-CB 4.11Å; F223-L228 HydrophobicContact CE1-CB 3.87Å; F223-L228 HydrophobicContact CE1-CD1 4.18Å; F223-L228 PolarHBondContact O-N 3.19Å; L228-Y230 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 3.47Å; L228-K232 HydrophobicContact CD1-CD 4.47Å; L228-K232 HydrophobicContact CD1-CG 4.35Å; L228-K232 HydrophobicContact CG-CD 4.2Å; L228-K232 HydrophobicContact CG-CG 4.45Å; L228-K232 WeakPolarHBondContact O-CG 3.26Å; L228-K232 PolarHBondContact O-N 3.47Å; L228-E269 HydrophobicContact CD1-CB 4.31Å; L228-E269 HydrophobicContact CD2-CB 3.68Å; L228-E269 HydrophobicContact CD2-CG 4.27Å; L228-L270 HydrophobicContact CD1-CD2 4.37Å; L228-A273 HydrophobicContact CD1-CB 4.3Å |
| 229 | P | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -38.4 | -179.8 | -25.1 | 36.6 | 0 | 0 | 0 | 112.3 | N224 C227 K232 Q233 | N224-P229 WeakPolarHBondContact O-CD 3.3Å; N224-P229 WeakPolarHBondContact O-CG 3.45Å; C227-P229 VanDerWaalsContact C-CD 3.44Å; P229-K232 PolarHBondContact O-N 2.88Å; P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 2.83Å |
| 230 | Y | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76 | -37.2 | -179.4 | -55.7 | -72.5 | 0 | 0 | 0 | 112 | Q183 L186 T190 F226 C227 L228 K232 Q233 I234 | Q183-Y230 WeakPolarHBondContact CA-OH 3.34Å; Q183-Y230 WeakPolarHBondContact CG-OH 3.2Å; Q183-Y230 PolarHBondContact O-OH 2.91Å; L186-Y230 HydrophobicContact CB-CD1 4.14Å; L186-Y230 HydrophobicContact CB-CD2 3.95Å; L186-Y230 HydrophobicContact CB-CE1 3.7Å; L186-Y230 HydrophobicContact CB-CE2 3.52Å; L186-Y230 HydrophobicContact CB-CG 4.24Å; L186-Y230 HydrophobicContact CD1-CD2 4.3Å; L186-Y230 HydrophobicContact CD1-CE2 3.6Å; L186-Y230 HydrophobicContact CD2-CD2 4.48Å; L186-Y230 HydrophobicContact CG-CD2 4.47Å; L186-Y230 HydrophobicContact CG-CE2 4.06Å; T190-Y230 HydrophobicContact CG2-CD1 4.5Å; T190-Y230 WeakPolarHBondContact OG1-CB 3.44Å; T190-Y230 WeakPolarHBondContact OG1-CD1 3.49Å; F226-Y230 VanDerWaalsContact O-CD2 3.31Å; F226-Y230 WeakPolarHBondContact O-CD2 3.36Å; F226-Y230 WeakPolarHBondContact O-CE2 3.24Å; C227-Y230 PolarHBondContact O-N 3.47Å; C227-Y230 VanDerWaalsContact O-N 3.09Å; L228-Y230 PolarHBondContact O-N 3.43Å; Y230-K232 VanDerWaalsContact C-N 3.33Å; Y230-K232 PolarHBondContact O-N 3.11Å; Y230-Q233 PolarHBondContact O-N 3.2Å; Y230-I234 VanDerWaalsContact O-CG1 3.31Å; Y230-I234 WeakPolarHBondContact O-CG1 3.34Å; Y230-I234 PolarHBondContact O-N 3.1Å |
| 231 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 171.1 | -69.6 | 176.9 | 0 | 0 | 0 | 111.6 | A151 V210 E212 F223 C227 L228 I234 S235 V258 L270 Y275 | A151-L231 HydrophobicContact CB-CD2 3.87Å; V210-L231 HydrophobicContact CG1-CD2 3.81Å; E212-L231 HydrophobicContact CG-CD1 4.49Å; F223-L231 HydrophobicContact CZ-CD1 4.09Å; C227-L231 PolarHBondContact O-N 3.15Å; C227-L231 VanDerWaalsContact O-N 3.1Å; L228-L231 PolarHBondContact O-N 3.47Å; L231-I234 PolarHBondContact O-N 3.19Å; L231-S235 PolarHBondContact O-N 2.97Å; L231-V258 HydrophobicContact CD1-CG2 4.23Å; L231-V258 HydrophobicContact CD2-CG2 4.31Å; L231-L270 HydrophobicContact CD1-CD2 3.91Å; L231-Y275 HydrophobicContact CB-CE2 4.33Å; L231-Y275 VanDerWaalsContact O-CE2 3.3Å; L231-Y275 WeakPolarHBondContact O-CE2 3.27Å; L231-Y275 PolarHBondContact O-OH 3.42Å |
| 232 | K | 98.9 | Very high | 98.7 | Very high | 65 Ų | 65 | 30.3 Ų | 30.3 | 28% | 0.283 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62 | -44.6 | 174.5 | -75.1 | -179.7 | 173.6 | 177.8 | 0 | 111.5 | L228 P229 Y230 I234 S235 N236 A273 | L228-K232 HydrophobicContact CD1-CD 4.47Å; L228-K232 HydrophobicContact CD1-CG 4.35Å; L228-K232 HydrophobicContact CG-CD 4.2Å; L228-K232 HydrophobicContact CG-CG 4.45Å; L228-K232 WeakPolarHBondContact O-CG 3.26Å; L228-K232 PolarHBondContact O-N 3.47Å; P229-K232 PolarHBondContact O-N 2.88Å; Y230-K232 VanDerWaalsContact C-N 3.33Å; Y230-K232 PolarHBondContact O-N 3.11Å; K232-I234 VanDerWaalsContact C-N 3.35Å; K232-I234 PolarHBondContact O-N 3.39Å; K232-S235 PolarHBondContact O-N 2.76Å; K232-N236 WeakPolarHBondContact O-CB 3.39Å; K232-N236 VanDerWaalsContact O-CG 3.32Å; K232-N236 PolarHBondContact O-N 3.21Å; K232-N236 VanDerWaalsContact O-N 3.15Å; K232-N236 PolarHBondContact O-ND2 2.91Å; K232-A273 HydrophobicContact CG-CB 3.77Å |
| 233 | Q | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 32.6 Ų | 32.6 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 177.1 | -175.5 | 178.9 | -20.1 | 0 | 0 | 111.4 | T190 P229 Y230 S235 N236 E237 | T190-Q233 HydrophobicContact CG2-CB 4.08Å; T190-Q233 HydrophobicContact CG2-CG 3.93Å; P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 2.83Å; Y230-Q233 PolarHBondContact O-N 3.2Å; Q233-S235 PolarHBondContact O-N 2.83Å; Q233-N236 PolarHBondContact O-N 3.4Å; Q233-E237 PolarHBondContact NE2-OE2 3.04Å; Q233-E237 WeakPolarHBondContact O-CB 3.17Å; Q233-E237 PolarHBondContact O-N 2.95Å |
| 234 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -50.8 | 179.1 | -71 | 161.4 | 0 | 0 | 0 | 111.2 | P152 T190 V193 V194 L197 V210 Y230 L231 K232 V238 | P152-I234 HydrophobicContact CG-CD1 3.81Å; T190-I234 HydrophobicContact CG2-CG1 4.03Å; V193-I234 HydrophobicContact CB-CD1 4.26Å; V193-I234 HydrophobicContact CG1-CD1 3.64Å; V193-I234 HydrophobicContact CG1-CG1 4.01Å; V193-I234 HydrophobicContact CG1-CG2 4.3Å; V194-I234 HydrophobicContact CG2-CB 4.48Å; V194-I234 HydrophobicContact CG2-CG1 4.16Å; L197-I234 HydrophobicContact CD1-CG2 3.63Å; V210-I234 HydrophobicContact CG1-CD1 4.43Å; V210-I234 HydrophobicContact CG2-CG2 4Å; Y230-I234 VanDerWaalsContact O-CG1 3.31Å; Y230-I234 WeakPolarHBondContact O-CG1 3.34Å; Y230-I234 PolarHBondContact O-N 3.1Å; L231-I234 PolarHBondContact O-N 3.19Å; K232-I234 VanDerWaalsContact C-N 3.35Å; K232-I234 PolarHBondContact O-N 3.39Å; I234-V238 HydrophobicContact CG2-CG2 4.24Å; I234-V238 VanDerWaalsContact O-CB 3.3Å; I234-V238 WeakPolarHBondContact O-CB 3.35Å; I234-V238 WeakPolarHBondContact O-CG2 3.35Å; I234-V238 PolarHBondContact O-N 3.15Å |
| 235 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -51.2 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | L231 K232 Q233 E237 R239 D274 | L231-S235 PolarHBondContact O-N 2.97Å; K232-S235 PolarHBondContact O-N 2.76Å; Q233-S235 PolarHBondContact O-N 2.83Å; S235-E237 PolarHBondContact O-N 2.78Å; S235-R239 VanDerWaalsContact O-CG 3.31Å; S235-R239 WeakPolarHBondContact O-CG 3.41Å; S235-R239 PolarHBondContact O-N 3.44Å; S235-D274 PolarHBondContact OG-O 2.94Å |
| 236 | N | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 40.2 Ų | 40.2 | 47% | 0.465 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.3 | -45.3 | -177.9 | -68.5 | -20.9 | 0 | 0 | 0 | 112.2 | K232 Q233 S240 | K232-N236 WeakPolarHBondContact O-CB 3.39Å; K232-N236 VanDerWaalsContact O-CG 3.32Å; K232-N236 PolarHBondContact O-N 3.21Å; K232-N236 VanDerWaalsContact O-N 3.15Å; K232-N236 PolarHBondContact O-ND2 2.91Å; Q233-N236 PolarHBondContact O-N 3.4Å; N236-S240 WeakPolarHBondContact O-CB 3.49Å; N236-S240 PolarHBondContact O-N 3.41Å |
| 237 | E | 98.7 | Very high | 98.4 | Very high | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.7 | -41.2 | -173.4 | -162.5 | -179.4 | 152.1 | 0 | 0 | 111.9 | V194 Q233 S235 R239 S240 R241 | V194-E237 HydrophobicContact CG1-CB 4.15Å; V194-E237 HydrophobicContact CG1-CG 3.89Å; V194-E237 HydrophobicContact CG2-CB 4.11Å; V194-E237 HydrophobicContact CG2-CG 4.47Å; Q233-E237 PolarHBondContact NE2-OE2 3.04Å; Q233-E237 WeakPolarHBondContact O-CB 3.17Å; Q233-E237 PolarHBondContact O-N 2.95Å; S235-E237 PolarHBondContact O-N 2.78Å; E237-R239 PolarHBondContact O-N 2.99Å; E237-S240 PolarHBondContact O-N 2.79Å; E237-R241 HydrophobicContact CG-CG 4.19Å; E237-R241 VanDerWaalsContact O-CB 3.31Å; E237-R241 WeakPolarHBondContact O-CB 3.31Å; E237-R241 VanDerWaalsContact O-CG 3.28Å; E237-R241 WeakPolarHBondContact O-CG 3.5Å; E237-R241 PolarHBondContact O-N 2.77Å; E237-R241 IonicContact OE1-NH1 2.79Å |
| 238 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | V194 L197 I198 L208 I234 L242 L256 | V194-V238 HydrophobicContact CB-CG2 4.32Å; V194-V238 HydrophobicContact CG1-CG2 4.06Å; V194-V238 HydrophobicContact CG2-CG2 4.24Å; L197-V238 HydrophobicContact CB-CG2 4.03Å; L197-V238 HydrophobicContact CD1-CG2 4.14Å; I198-V238 HydrophobicContact CG1-CG1 4.28Å; I198-V238 HydrophobicContact CG1-CG2 4.38Å; L208-V238 HydrophobicContact CD1-CG1 4.01Å; I234-V238 HydrophobicContact CG2-CG2 4.24Å; I234-V238 VanDerWaalsContact O-CB 3.3Å; I234-V238 WeakPolarHBondContact O-CB 3.35Å; I234-V238 WeakPolarHBondContact O-CG2 3.35Å; I234-V238 PolarHBondContact O-N 3.15Å; V238-L242 HydrophobicContact CG1-CD1 3.7Å; V238-L242 HydrophobicContact CG1-CG 4.4Å; V238-L242 WeakPolarHBondContact O-CB 3.28Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.43Å; V238-L256 HydrophobicContact CB-CD2 4.47Å; V238-L256 HydrophobicContact CG1-CD2 4.46Å |
| 239 | R | 98.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 179.3 | -67.2 | -177.9 | -168.5 | -80.7 | 7.4 | 112.1 | S235 E237 R241 L242 L243 I253 L256 D274 D276 | S235-R239 VanDerWaalsContact O-CG 3.31Å; S235-R239 WeakPolarHBondContact O-CG 3.41Å; S235-R239 PolarHBondContact O-N 3.44Å; E237-R239 PolarHBondContact O-N 2.99Å; R239-R241 PolarHBondContact O-N 3.34Å; R239-L242 PolarHBondContact O-N 3.31Å; R239-L243 WeakPolarHBondContact O-CB 3.46Å; R239-L243 PolarHBondContact O-N 2.96Å; R239-I253 HydrophobicContact CG-CG2 4.14Å; R239-L256 HydrophobicContact CG-CD1 4.06Å; R239-D274 IonicContact NE-OD2 3.08Å; R239-D274 PolarHBondContact NE-OD2 2.68Å; R239-D274 PolarHBondContact NH2-O 2.83Å; R239-D276 IonicContact CZ-OD2 3.46Å; R239-D276 IonicContact NH1-OD1 3Å; R239-D276 IonicContact NH1-OD2 3.27Å; R239-D276 PolarHBondContact NH1-OD2 3.46Å; R239-D276 IonicContact NH2-OD1 3.41Å; R239-D276 PolarHBondContact NH2-OD1 3.43Å; R239-D276 IonicContact NH2-OD2 2.71Å; R239-D276 PolarHBondContact NH2-OD2 3.14Å |
| 240 | S | 98.5 | Very high | 98 | Very high | 57 Ų | 57 | 59 Ų | 59 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | -178 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | N236 E237 L243 N244 | N236-S240 WeakPolarHBondContact O-CB 3.49Å; N236-S240 PolarHBondContact O-N 3.41Å; E237-S240 PolarHBondContact O-N 2.79Å; S240-L243 PolarHBondContact O-N 2.87Å; S240-N244 VanDerWaalsContact O-CB 3.24Å; S240-N244 WeakPolarHBondContact O-CB 3.36Å; S240-N244 VanDerWaalsContact O-CG 3.31Å; S240-N244 PolarHBondContact O-N 3.14Å; S240-N244 PolarHBondContact O-ND2 2.78Å; S240-N244 PolarHBondContact OG-ND2 3.36Å; S240-N244 VanDerWaalsContact OG-ND2 3.1Å |
| 241 | R | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 179.3 | -68.7 | -179.2 | 65.7 | -174.7 | -2.2 | 111.4 | I198 E237 R239 L243 N244 E245 Y246 | I198-R241 HydrophobicContact CD1-CB 3.58Å; I198-R241 HydrophobicContact CD1-CG 4.26Å; E237-R241 HydrophobicContact CG-CG 4.19Å; E237-R241 VanDerWaalsContact O-CB 3.31Å; E237-R241 WeakPolarHBondContact O-CB 3.31Å; E237-R241 VanDerWaalsContact O-CG 3.28Å; E237-R241 WeakPolarHBondContact O-CG 3.5Å; E237-R241 PolarHBondContact O-N 2.77Å; E237-R241 IonicContact OE1-NH1 2.79Å; R239-R241 PolarHBondContact O-N 3.34Å; R241-L243 VanDerWaalsContact C-N 3.29Å; R241-L243 PolarHBondContact O-N 2.67Å; R241-N244 PolarHBondContact O-N 3.29Å; R241-E245 HydrophobicContact CB-CB 4.46Å; R241-E245 IonicContact CZ-OE2 3.31Å; R241-E245 IonicContact NE-OE2 3.43Å; R241-E245 PolarHBondContact NE-OE2 2.91Å; R241-E245 IonicContact NH2-OE1 3.42Å; R241-E245 PolarHBondContact NH2-OE1 3.21Å; R241-E245 IonicContact NH2-OE2 3.93Å; R241-E245 PolarHBondContact NH2-OE2 2.85Å; R241-E245 VanDerWaalsContact NH2-OE2 3.16Å; R241-E245 WeakPolarHBondContact O-CA 3.3Å; R241-E245 VanDerWaalsContact O-CB 3.23Å; R241-E245 WeakPolarHBondContact O-CB 3.3Å; R241-E245 PolarHBondContact O-N 3.21Å; R241-Y246 WeakPolarHBondContact O-CD2 3.46Å; R241-Y246 PolarHBondContact O-N 2.97Å |
| 242 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.6 | -45.8 | 173.9 | -72.8 | 171.6 | 0 | 0 | 0 | 111.4 | I198 V201 V238 R239 Y246 R247 I248 I253 | I198-L242 HydrophobicContact CG1-CD2 4.42Å; I198-L242 HydrophobicContact CG1-CG 4.3Å; I198-L242 HydrophobicContact CG2-CD2 4.03Å; V201-L242 HydrophobicContact CB-CD1 4.31Å; V201-L242 HydrophobicContact CB-CD2 4.06Å; V201-L242 HydrophobicContact CG1-CD1 4.16Å; V201-L242 HydrophobicContact CG1-CD2 3.95Å; V201-L242 HydrophobicContact CG2-CD1 4.05Å; V238-L242 HydrophobicContact CG1-CD1 3.7Å; V238-L242 HydrophobicContact CG1-CG 4.4Å; V238-L242 WeakPolarHBondContact O-CB 3.28Å; V238-L242 WeakPolarHBondContact O-CG 3.4Å; V238-L242 PolarHBondContact O-N 3.43Å; R239-L242 PolarHBondContact O-N 3.31Å; L242-Y246 CarbonylContact O-C 3.56Å; L242-R247 PolarHBondContact O-N 3.35Å; L242-R247 VanDerWaalsContact O-N 3.11Å; L242-I248 HydrophobicContact CB-CB 4.2Å; L242-I248 HydrophobicContact CB-CG1 4.01Å; L242-I248 HydrophobicContact CD2-CD1 3.99Å; L242-I248 HydrophobicContact CD2-CG1 3.96Å; L242-I248 VanDerWaalsContact O-CB 3.3Å; L242-I248 WeakPolarHBondContact O-CB 3.36Å; L242-I248 VanDerWaalsContact O-CG1 3.23Å; L242-I248 WeakPolarHBondContact O-CG1 3.4Å; L242-I248 PolarHBondContact O-N 3.4Å; L242-I253 HydrophobicContact CB-CG1 4.5Å; L242-I253 HydrophobicContact CD1-CG2 4.3Å |
| 243 | L | 97.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.1 | -50.3 | 179.5 | -176.4 | 63.2 | 0 | 0 | 0 | 113.2 | R239 S240 R241 R247 I248 R250 I253 | R239-L243 WeakPolarHBondContact O-CB 3.46Å; R239-L243 PolarHBondContact O-N 2.96Å; S240-L243 PolarHBondContact O-N 2.87Å; R241-L243 VanDerWaalsContact C-N 3.29Å; R241-L243 PolarHBondContact O-N 2.67Å; L243-R247 VanDerWaalsContact O-CA 3.25Å; L243-R247 WeakPolarHBondContact O-CA 3.42Å; L243-R247 PolarHBondContact O-N 3.49Å; L243-I248 WeakPolarHBondContact CD1-O 3.29Å; L243-R250 HydrophobicContact CD1-CB 4.45Å; L243-I253 HydrophobicContact CB-CD1 4.07Å |
| 244 | N | 98.1 | Very high | 97.5 | Very high | 107 Ų | 107 | 62.8 Ų | 62.8 | 57% | 0.572 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -94.3 | -43.3 | -165.5 | -60.7 | -43.9 | 0 | 0 | 0 | 112.7 | S240 R241 | S240-N244 VanDerWaalsContact O-CB 3.24Å; S240-N244 WeakPolarHBondContact O-CB 3.36Å; S240-N244 VanDerWaalsContact O-CG 3.31Å; S240-N244 PolarHBondContact O-N 3.14Å; S240-N244 PolarHBondContact O-ND2 2.78Å; S240-N244 PolarHBondContact OG-ND2 3.36Å; S240-N244 VanDerWaalsContact OG-ND2 3.1Å; R241-N244 PolarHBondContact O-N 3.29Å |
| 245 | E | 97.9 | Very high | 97.5 | Very high | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -48.8 | -178.5 | -174.8 | -172.4 | 150 | 0 | 0 | 110.6 | R241 | R241-E245 HydrophobicContact CB-CB 4.46Å; R241-E245 IonicContact CZ-OE2 3.31Å; R241-E245 IonicContact NE-OE2 3.43Å; R241-E245 PolarHBondContact NE-OE2 2.91Å; R241-E245 IonicContact NH2-OE1 3.42Å; R241-E245 PolarHBondContact NH2-OE1 3.21Å; R241-E245 IonicContact NH2-OE2 3.93Å; R241-E245 PolarHBondContact NH2-OE2 2.85Å; R241-E245 VanDerWaalsContact NH2-OE2 3.16Å; R241-E245 WeakPolarHBondContact O-CA 3.3Å; R241-E245 VanDerWaalsContact O-CB 3.23Å; R241-E245 WeakPolarHBondContact O-CB 3.3Å; R241-E245 PolarHBondContact O-N 3.21Å |
| 246 | Y | 96.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 63 Ų | 63 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -95.3 | -3.4 | -176.4 | -62.4 | -84.4 | 0 | 0 | 0 | 114.2 | I198 L202 R241 L242 I248 | I198-Y246 HydrophobicContact CG2-CD2 3.86Å; I198-Y246 HydrophobicContact CG2-CE2 3.47Å; I198-Y246 VanDerWaalsContact CG2-CE2 3.47Å; L202-Y246 HydrophobicContact CD1-CD1 3.53Å; L202-Y246 HydrophobicContact CD1-CE1 3.43Å; L202-Y246 VanDerWaalsContact CD1-CE1 3.43Å; L202-Y246 HydrophobicContact CD1-CG 4.21Å; L202-Y246 HydrophobicContact CD2-CD1 3.88Å; L202-Y246 HydrophobicContact CD2-CG 4.11Å; L202-Y246 HydrophobicContact CG-CD1 4.33Å; R241-Y246 WeakPolarHBondContact O-CD2 3.46Å; R241-Y246 PolarHBondContact O-N 2.97Å; L242-Y246 CarbonylContact O-C 3.56Å; Y246-I248 PolarHBondContact O-N 2.96Å |
| 247 | R | 97 | Very high | 97.5 | Very high | 212 Ų | 212 | 58.9 Ų | 58.9 | 80% | 0.8 | 28% | 0.283 | S | S | * | . | trans | 54.7 | 37.1 | 177.1 | -56.2 | -179.6 | -177.6 | 162.2 | 0.5 | 113.1 | L242 L243 | L242-R247 PolarHBondContact O-N 3.35Å; L242-R247 VanDerWaalsContact O-N 3.11Å; L243-R247 VanDerWaalsContact O-CA 3.25Å; L243-R247 WeakPolarHBondContact O-CA 3.42Å; L243-R247 PolarHBondContact O-N 3.49Å | ||
| 248 | I | 96.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -73.1 | 124.7 | 174 | -53.2 | -111.2 | 0 | 0 | 0 | 107.4 | Y2 V201 L202 L242 L243 Y246 R250 I253 | Y2-I248 HydrophobicContact CE1-CD1 3.64Å; Y2-I248 WeakPolarHBondContact OH-CA 2.83Å; Y2-I248 WeakPolarHBondContact OH-CB 3.35Å; Y2-I248 WeakPolarHBondContact OH-CD1 3.41Å; Y2-I248 WeakPolarHBondContact OH-CG1 3.46Å; V201-I248 HydrophobicContact CG1-CD1 4.36Å; L202-I248 HydrophobicContact CD2-CD1 3.93Å; L242-I248 HydrophobicContact CB-CB 4.2Å; L242-I248 HydrophobicContact CB-CG1 4.01Å; L242-I248 HydrophobicContact CD2-CD1 3.99Å; L242-I248 HydrophobicContact CD2-CG1 3.96Å; L242-I248 VanDerWaalsContact O-CB 3.3Å; L242-I248 WeakPolarHBondContact O-CB 3.36Å; L242-I248 VanDerWaalsContact O-CG1 3.23Å; L242-I248 WeakPolarHBondContact O-CG1 3.4Å; L242-I248 PolarHBondContact O-N 3.4Å; L243-I248 WeakPolarHBondContact CD1-O 3.29Å; Y246-I248 PolarHBondContact O-N 2.96Å; I248-R250 PolarHBondContact O-N 3.04Å; I248-I253 HydrophobicContact CG2-CG1 4.03Å | ||
| 249 | P | 95.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | trans | -55.8 | 139.8 | 175.9 | -24.3 | 33.6 | 0 | 0 | 0 | 111 | D251 S252 I253 | P249-D251 VanDerWaalsContact C-N 3.26Å; P249-D251 PolarHBondContact O-N 3.04Å; P249-D251 VanDerWaalsContact O-N 3.16Å; P249-S252 CarbonylContact O-C 3.53Å; P249-S252 WeakPolarHBondContact O-CA 3.32Å; P249-S252 WeakPolarHBondContact O-CB 3.41Å; P249-S252 PolarHBondContact O-N 2.76Å; P249-I253 PolarHBondContact O-N 3.2Å | ||
| 250 | R | 95.3 | Very high | 97.5 | Very high | 178 Ų | 178 | 54.4 Ų | 54.4 | 67% | 0.672 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -50 | -45.1 | -176.3 | -177.6 | 178.7 | -67.9 | -85.5 | -0.6 | 112.8 | L243 I248 S252 I253 | L243-R250 HydrophobicContact CD1-CB 4.45Å; I248-R250 PolarHBondContact O-N 3.04Å; R250-S252 PolarHBondContact O-N 3.04Å; R250-I253 WeakPolarHBondContact O-CB 3.49Å; R250-I253 PolarHBondContact O-N 3.47Å; R250-I253 VanDerWaalsContact O-N 3.16Å |
| 251 | D | 93.9 | Very high | 97.5 | Very high | 132 Ų | 132 | 53.1 Ų | 53.1 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.1 | -177.9 | -57.3 | -30.3 | 0 | 0 | 0 | 113.6 | K18 P249 | K18-D251 PolarHBondContact NZ-O 3.48Å; P249-D251 VanDerWaalsContact C-N 3.26Å; P249-D251 PolarHBondContact O-N 3.04Å; P249-D251 VanDerWaalsContact O-N 3.16Å |
| 252 | S | 94.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 52.5 Ų | 52.5 | 52% | 0.524 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -93.7 | -4.3 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | P249 R250 P254 | P249-S252 CarbonylContact O-C 3.53Å; P249-S252 WeakPolarHBondContact O-CA 3.32Å; P249-S252 WeakPolarHBondContact O-CB 3.41Å; P249-S252 PolarHBondContact O-N 2.76Å; R250-S252 PolarHBondContact O-N 3.04Å; S252-P254 WeakPolarHBondContact O-CD 3.46Å |
| 253 | I | 97.5 | Very high | 97.5 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -67.8 | 123.7 | 172.4 | -63.5 | 178 | 0 | 0 | 0 | 108.1 | R239 L242 L243 I248 P249 R250 | R239-I253 HydrophobicContact CG-CG2 4.14Å; L242-I253 HydrophobicContact CB-CG1 4.5Å; L242-I253 HydrophobicContact CD1-CG2 4.3Å; L243-I253 HydrophobicContact CB-CD1 4.07Å; I248-I253 HydrophobicContact CG2-CG1 4.03Å; P249-I253 PolarHBondContact O-N 3.2Å; R250-I253 WeakPolarHBondContact O-CB 3.49Å; R250-I253 PolarHBondContact O-N 3.47Å; R250-I253 VanDerWaalsContact O-N 3.16Å |
| 254 | P | 98.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 143.8 | 178.4 | -32.9 | 42.2 | 0 | 0 | 0 | 112.9 | V201 Q206 L208 S252 L256 | V201-P254 HydrophobicContact CB-CG 4.32Å; V201-P254 HydrophobicContact CG1-CG 3.66Å; V201-P254 HydrophobicContact CG2-CB 4.5Å; V201-P254 HydrophobicContact CG2-CG 3.75Å; Q206-P254 WeakPolarHBondContact O-CB 3.48Å; L208-P254 HydrophobicContact CG-CB 4.49Å; S252-P254 WeakPolarHBondContact O-CD 3.46Å; P254-L256 WeakPolarHBondContact O-CD1 3.42Å |
| 255 | P | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -60 | 140 | 166.6 | -22.2 | 33.1 | 0 | 0 | 0 | 111.7 | I14 A17 K18 Q206 L207 L208 D276 | I14-P255 HydrophobicContact CG2-CG 4.29Å; A17-P255 HydrophobicContact CB-CB 3.57Å; A17-P255 HydrophobicContact CB-CG 3.78Å; K18-P255 HydrophobicContact CG-CG 4.2Å; Q206-P255 WeakPolarHBondContact O-CD 3.28Å; L207-P255 WeakPolarHBondContact CA-O 3.13Å; L207-P255 HydrophobicContact CD2-CB 4.48Å; L208-P255 PolarHBondContact N-O 3.42Å; P255-D276 WeakPolarHBondContact CA-OD2 3.31Å; P255-D276 HydrophobicContact CB-CB 4.13Å |
| 256 | L | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.9 | 175.2 | -74.9 | 89.8 | 0 | 0 | 0 | 110.8 | L208 V238 R239 P254 Y275 D276 V277 | L208-L256 HydrophobicContact CB-CG 4.36Å; L208-L256 HydrophobicContact CD1-CG 4.43Å; L208-L256 CarbonylContact O-C 3.16Å; L208-L256 WeakPolarHBondContact O-CA 3.4Å; V238-L256 HydrophobicContact CB-CD2 4.47Å; V238-L256 HydrophobicContact CG1-CD2 4.46Å; R239-L256 HydrophobicContact CG-CD1 4.06Å; P254-L256 WeakPolarHBondContact O-CD1 3.42Å; L256-Y275 HydrophobicContact CB-CD1 3.73Å; L256-Y275 HydrophobicContact CB-CE1 4.18Å; L256-Y275 HydrophobicContact CD2-CE1 4.33Å; L256-D276 PolarHBondContact N-OD2 3.38Å; L256-D276 PolarHBondContact O-N 3.31Å; L256-V277 PolarHBondContact O-N 2.71Å; L256-V277 VanDerWaalsContact O-N 3.15Å |
| 257 | I | 99 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.2 | 179.3 | -45.5 | 177.9 | 0 | 0 | 0 | 108.6 | L207 L208 Q209 V210 V277 | L207-I257 HydrophobicContact CD2-CD1 4.25Å; L208-I257 PolarHBondContact O-N 3.12Å; Q209-I257 CarbonylContact C-O 3.57Å; Q209-I257 WeakPolarHBondContact CA-O 3.35Å; Q209-I257 HydrophobicContact CB-CB 4.11Å; Q209-I257 HydrophobicContact CG-CB 4.03Å; Q209-I257 HydrophobicContact CG-CG2 4.1Å; V210-I257 PolarHBondContact N-O 3.1Å; I257-V277 WeakPolarHBondContact CA-O 3.45Å; I257-V277 HydrophobicContact CB-CB 4.11Å; I257-V277 HydrophobicContact CG1-CB 3.86Å; I257-V277 HydrophobicContact CG1-CG1 4.37Å; I257-V277 HydrophobicContact CG1-CG2 4.08Å; I257-V277 HydrophobicContact CG2-CB 3.89Å; I257-V277 HydrophobicContact CG2-CG1 3.81Å |
| 258 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.7 | 167.7 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | L231 L270 Y275 V277 I278 S279 | L231-V258 HydrophobicContact CD1-CG2 4.23Å; L231-V258 HydrophobicContact CD2-CG2 4.31Å; V258-L270 HydrophobicContact CG1-CD2 4.24Å; V258-L270 HydrophobicContact CG2-CD2 4.03Å; V258-Y275 HydrophobicContact CB-CD1 3.6Å; V258-Y275 HydrophobicContact CB-CD2 3.93Å; V258-Y275 HydrophobicContact CB-CE1 3.79Å; V258-Y275 HydrophobicContact CB-CE2 4.13Å; V258-Y275 HydrophobicContact CB-CG 3.67Å; V258-Y275 HydrophobicContact CG1-CD1 4.13Å; V258-Y275 HydrophobicContact CG1-CD2 3.93Å; V258-Y275 HydrophobicContact CG1-CG 3.71Å; V258-Y275 HydrophobicContact CG2-CE2 4.47Å; V258-V277 PolarHBondContact N-O 3.12Å; V258-I278 HydrophobicContact CG1-CG1 3.94Å; V258-S279 PolarHBondContact O-N 2.88Å |
| 259 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 101.7 | 173 | 175.5 | -125.6 | 0 | 0 | 0 | 109.7 | M30 V210 F211 E212 K261 S279 D281 G336 H337 | M30-F259 HydrophobicContact CE-CE1 4.41Å; M30-F259 HydrophobicContact CE-CE2 4.31Å; M30-F259 HydrophobicContact CE-CZ 4.13Å; M30-F259 HydrophobicContact SD-CD1 4.12Å; M30-F259 HydrophobicContact SD-CE1 3.94Å; M30-F259 HydrophobicContact SD-CZ 4.27Å; V210-F259 PolarHBondContact O-N 3.09Å; F211-F259 AromaticContact CD1-CD1 3.74Å; F211-F259 HydrophobicContact CD1-CD1 3.74Å; F211-F259 HydrophobicContact CD1-CE1 4.45Å; F211-F259 HydrophobicContact CE1-CD1 4.21Å; E212-F259 CarbonylContact C-O 3.6Å; E212-F259 WeakPolarHBondContact CA-O 3.48Å; E212-F259 PolarHBondContact N-O 3.02Å; F259-K261 HydrophobicContact CE1-CB 3.89Å; F259-K261 HydrophobicContact CE1-CG 4.46Å; F259-K261 HydrophobicContact CE2-CB 4.23Å; F259-K261 HydrophobicContact CZ-CB 3.63Å; F259-K261 HydrophobicContact CZ-CG 3.91Å; F259-S279 WeakPolarHBondContact CD2-O 3.18Å; F259-D281 HydrophobicContact CE2-CB 4.41Å; F259-G336 WeakPolarHBondContact CZ-O 3.42Å; F259-H337 AromaticContact CE1-ND1 3.95Å |
| 260 | A | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 91.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E212 A215 D262 G263 L270 | E212-A260 HydrophobicContact CB-CB 4.37Å; E212-A260 WeakPolarHBondContact O-CA 3.47Å; A215-A260 HydrophobicContact CB-CB 3.91Å; A260-D262 PolarHBondContact O-N 3.35Å; A260-G263 WeakPolarHBondContact O-CA 3.46Å; A260-G263 PolarHBondContact O-N 2.57Å; A260-L270 HydrophobicContact CB-CD1 3.66Å |
| 261 | K | 98.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 134 | -178 | -170.6 | -166.1 | 173.5 | -62 | 0 | 110.6 | E212 A215 G216 F259 G263 D281 H337 | E212-K261 PolarHBondContact O-N 2.89Å; E212-K261 VanDerWaalsContact O-N 3.14Å; A215-K261 WeakPolarHBondContact CB-O 3.32Å; G216-K261 PolarHBondContact N-O 3.32Å; G216-K261 VanDerWaalsContact N-O 3.14Å; F259-K261 HydrophobicContact CE1-CB 3.89Å; F259-K261 HydrophobicContact CE1-CG 4.46Å; F259-K261 HydrophobicContact CE2-CB 4.23Å; F259-K261 HydrophobicContact CZ-CB 3.63Å; F259-K261 HydrophobicContact CZ-CG 3.91Å; K261-G263 PolarHBondContact O-N 2.91Å; K261-D281 HydrophobicContact CG-CB 4.33Å; K261-H337 VanDerWaalsContact CE-CD2 3.41Å; K261-H337 WeakPolarHBondContact CE-CD2 3.5Å |
| 262 | D | 98.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 20.3 | -174.8 | -48.2 | -43.6 | 0 | 0 | 0 | 112 | A260 H264 D281 | A260-D262 PolarHBondContact O-N 3.35Å; D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 PolarHBondContact O-N 3.02Å; D262-H264 PolarHBondContact O-ND1 3.29Å; D262-D281 VanDerWaalsContact CA-OD2 3.27Å; D262-D281 WeakPolarHBondContact CA-OD2 3.32Å; D262-D281 PolarHBondContact N-OD2 3.15Å |
| 263 | G | 97.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | trans | -90 | 27.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A260 K261 Y265 A266 | A260-G263 WeakPolarHBondContact O-CA 3.46Å; A260-G263 PolarHBondContact O-N 2.57Å; K261-G263 PolarHBondContact O-N 2.91Å; G263-Y265 PolarHBondContact O-N 3.27Å; G263-Y265 VanDerWaalsContact O-N 3.15Å; G263-A266 WeakPolarHBondContact O-CB 3.33Å; G263-A266 PolarHBondContact O-N 3.22Å | ||
| 264 | H | 97.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 29.4 Ų | 29.4 | 52% | 0.519 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -52.4 | -37.9 | -176.4 | 59.2 | -87.7 | 0 | 0 | 0 | 113.3 | D262 A266 I284 | D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 PolarHBondContact O-N 3.02Å; D262-H264 PolarHBondContact O-ND1 3.29Å; H264-A266 PolarHBondContact O-N 3.05Å; H264-I284 HydrophobicContact CB-CD1 4Å; H264-I284 HydrophobicContact CB-CG1 3.88Å |
| 265 | Y | 97.8 | Very high | 98.2 | Very high | 61 Ų | 61 | 29.3 Ų | 29.3 | 24% | 0.239 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -69.8 | -14 | 179.1 | 63.1 | -96.8 | 0 | 0 | 0 | 113.8 | A215 L218 P220 F223 G263 | A215-Y265 PolarHBondContact O-OH 2.95Å; L218-Y265 PolarHBondContact O-OH 3.26Å; P220-Y265 HydrophobicContact CB-CD2 4.09Å; P220-Y265 HydrophobicContact CG-CD2 3.81Å; P220-Y265 HydrophobicContact CG-CG 4.09Å; F223-Y265 HydrophobicContact CB-CE2 3.7Å; F223-Y265 HydrophobicContact CD1-CE2 4.36Å; F223-Y265 HydrophobicContact CD2-CE2 4.19Å; F223-Y265 WeakPolarHBondContact CD2-OH 3.26Å; F223-Y265 AromaticContact CG-CE2 3.83Å; F223-Y265 HydrophobicContact CG-CE2 3.83Å; G263-Y265 PolarHBondContact O-N 3.27Å; G263-Y265 VanDerWaalsContact O-N 3.15Å |
| 266 | A | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -104.3 | -2.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F223 G263 H264 T268 E269 L270 | F223-A266 HydrophobicContact CD1-CB 3.82Å; F223-A266 HydrophobicContact CE1-CB 3.46Å; F223-A266 VanDerWaalsContact CE1-CB 3.46Å; F223-A266 HydrophobicContact CE2-CB 4.3Å; F223-A266 HydrophobicContact CG-CB 4.4Å; F223-A266 HydrophobicContact CZ-CB 3.73Å; G263-A266 WeakPolarHBondContact O-CB 3.33Å; G263-A266 PolarHBondContact O-N 3.22Å; H264-A266 PolarHBondContact O-N 3.05Å; A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.28Å; A266-E269 PolarHBondContact O-N 3.16Å; A266-L270 HydrophobicContact CB-CD1 4.07Å; A266-L270 HydrophobicContact CB-CG 4.28Å; A266-L270 WeakPolarHBondContact O-CG 3.42Å; A266-L270 PolarHBondContact O-N 3.16Å |
| 267 | L | 98.2 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.6 | -43.5 | -173.7 | -71.5 | 178.1 | 0 | 0 | 0 | 113.8 | E269 L270 S271 I278 L280 I284 A289 T292 V293 | L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.26Å; L267-L270 PolarHBondContact O-N 2.96Å; L267-S271 PolarHBondContact O-N 3.02Å; L267-I278 HydrophobicContact CD2-CG2 4.01Å; L267-L280 HydrophobicContact CD2-CD2 3.53Å; L267-I284 HydrophobicContact CD1-CD1 4.27Å; L267-I284 HydrophobicContact CD1-CG2 3.9Å; L267-I284 HydrophobicContact CD2-CD1 4.4Å; L267-A289 HydrophobicContact CD1-CB 4.24Å; L267-T292 HydrophobicContact CB-CG2 3.71Å; L267-V293 HydrophobicContact CB-CG1 4.21Å; L267-V293 HydrophobicContact CD2-CG1 4.48Å |
| 268 | T | 98 | Very high | 98.2 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 41% | 0.411 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.2 | -33.3 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | A266 S271 K272 T292 | A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.28Å; T268-S271 PolarHBondContact O-OG 2.87Å; T268-K272 VanDerWaalsContact O-CE 3.26Å; T268-K272 WeakPolarHBondContact O-CE 3.43Å; T268-K272 WeakPolarHBondContact O-CG 3.09Å; T268-T292 WeakPolarHBondContact OG1-CG2 3.46Å |
| 269 | E | 98.1 | Very high | 98.2 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 26% | 0.262 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -86.4 | -33.5 | -179.2 | -67.2 | -51.2 | 128.9 | 0 | 0 | 112 | L228 A266 L267 S271 K272 | L228-E269 HydrophobicContact CD1-CB 4.31Å; L228-E269 HydrophobicContact CD2-CB 3.68Å; L228-E269 HydrophobicContact CD2-CG 4.27Å; A266-E269 PolarHBondContact O-N 3.16Å; L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.26Å; E269-S271 VanDerWaalsContact C-N 3.34Å; E269-K272 PolarHBondContact O-N 3.12Å; E269-K272 IonicContact OE1-NZ 3.86Å; E269-K272 PolarHBondContact OE1-NZ 3.39Å; E269-K272 IonicContact OE2-NZ 2.83Å |
| 270 | L | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -34.2 | 172.4 | -72.9 | 171.1 | 0 | 0 | 0 | 112.1 | F223 L228 L231 V258 A260 A266 L267 K272 A273 I278 | F223-L270 HydrophobicContact CZ-CD1 4.5Å; F223-L270 HydrophobicContact CZ-CD2 4.13Å; F223-L270 HydrophobicContact CZ-CG 4.36Å; L228-L270 HydrophobicContact CD1-CD2 4.37Å; L231-L270 HydrophobicContact CD1-CD2 3.91Å; V258-L270 HydrophobicContact CG1-CD2 4.24Å; V258-L270 HydrophobicContact CG2-CD2 4.03Å; A260-L270 HydrophobicContact CB-CD1 3.66Å; A266-L270 HydrophobicContact CB-CD1 4.07Å; A266-L270 HydrophobicContact CB-CG 4.28Å; A266-L270 WeakPolarHBondContact O-CG 3.42Å; A266-L270 PolarHBondContact O-N 3.16Å; L267-L270 PolarHBondContact O-N 2.96Å; L270-K272 PolarHBondContact O-N 2.77Å; L270-K272 VanDerWaalsContact O-N 3.16Å; L270-A273 WeakPolarHBondContact O-CB 3.34Å; L270-A273 PolarHBondContact O-N 3.11Å; L270-I278 HydrophobicContact CB-CD1 3.93Å; L270-I278 HydrophobicContact CB-CG1 4.49Å |
| 271 | S | 97.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.5 | 174.7 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | L267 T268 E269 | L267-S271 PolarHBondContact O-N 3.02Å; T268-S271 PolarHBondContact O-OG 2.87Å; E269-S271 VanDerWaalsContact C-N 3.34Å |
| 272 | K | 97.6 | Very high | 98.2 | Very high | 121 Ų | 121 | 33.8 Ų | 33.8 | 53% | 0.526 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 10.2 | 176.1 | -53.4 | 168 | -166.1 | 162.8 | 0 | 112.6 | T268 E269 L270 | T268-K272 VanDerWaalsContact O-CE 3.26Å; T268-K272 WeakPolarHBondContact O-CE 3.43Å; T268-K272 WeakPolarHBondContact O-CG 3.09Å; E269-K272 PolarHBondContact O-N 3.12Å; E269-K272 IonicContact OE1-NZ 3.86Å; E269-K272 PolarHBondContact OE1-NZ 3.39Å; E269-K272 IonicContact OE2-NZ 2.83Å; L270-K272 PolarHBondContact O-N 2.77Å; L270-K272 VanDerWaalsContact O-N 3.16Å |
| 273 | A | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L228 K232 L270 Y275 | L228-A273 HydrophobicContact CD1-CB 4.3Å; K232-A273 HydrophobicContact CG-CB 3.77Å; L270-A273 WeakPolarHBondContact O-CB 3.34Å; L270-A273 PolarHBondContact O-N 3.11Å; A273-Y275 VanDerWaalsContact C-N 3.28Å; A273-Y275 HydrophobicContact CB-CD2 3.88Å; A273-Y275 HydrophobicContact CB-CE2 4.14Å; A273-Y275 VanDerWaalsContact O-CD2 3.3Å; A273-Y275 WeakPolarHBondContact O-CD2 3.14Å; A273-Y275 PolarHBondContact O-N 2.95Å |
| 274 | D | 96.8 | Very high | 98.2 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.7 | 176.9 | -159.1 | 49.1 | 0 | 0 | 0 | 115.2 | S235 R239 | S235-D274 PolarHBondContact OG-O 2.94Å; R239-D274 IonicContact NE-OD2 3.08Å; R239-D274 PolarHBondContact NE-OD2 2.68Å; R239-D274 PolarHBondContact NH2-O 2.83Å |
| 275 | Y | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | trans | -87.4 | 141.1 | 167.5 | -71.1 | -95.8 | 0 | 0 | 0 | 109.7 | V210 L231 L256 V258 A273 V277 I297 | V210-Y275 HydrophobicContact CB-CE1 4.25Å; V210-Y275 HydrophobicContact CG2-CE1 4.02Å; L231-Y275 HydrophobicContact CB-CE2 4.33Å; L231-Y275 VanDerWaalsContact O-CE2 3.3Å; L231-Y275 WeakPolarHBondContact O-CE2 3.27Å; L231-Y275 PolarHBondContact O-OH 3.42Å; L256-Y275 HydrophobicContact CB-CD1 3.73Å; L256-Y275 HydrophobicContact CB-CE1 4.18Å; L256-Y275 HydrophobicContact CD2-CE1 4.33Å; V258-Y275 HydrophobicContact CB-CD1 3.6Å; V258-Y275 HydrophobicContact CB-CD2 3.93Å; V258-Y275 HydrophobicContact CB-CE1 3.79Å; V258-Y275 HydrophobicContact CB-CE2 4.13Å; V258-Y275 HydrophobicContact CB-CG 3.67Å; V258-Y275 HydrophobicContact CG1-CD1 4.13Å; V258-Y275 HydrophobicContact CG1-CD2 3.93Å; V258-Y275 HydrophobicContact CG1-CG 3.71Å; V258-Y275 HydrophobicContact CG2-CE2 4.47Å; A273-Y275 VanDerWaalsContact C-N 3.28Å; A273-Y275 HydrophobicContact CB-CD2 3.88Å; A273-Y275 HydrophobicContact CB-CE2 4.14Å; A273-Y275 VanDerWaalsContact O-CD2 3.3Å; A273-Y275 WeakPolarHBondContact O-CD2 3.14Å; A273-Y275 PolarHBondContact O-N 2.95Å; Y275-V277 VanDerWaalsContact C-N 3.29Å; Y275-I297 WeakPolarHBondContact O-CD1 3.12Å | ||
| 276 | D | 98.5 | Very high | 98.2 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 23% | 0.225 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -71.8 | -31.8 | 176.9 | -53.5 | -76.7 | 0 | 0 | 0 | 111.1 | R239 P255 L256 T298 | R239-D276 IonicContact CZ-OD2 3.46Å; R239-D276 IonicContact NH1-OD1 3Å; R239-D276 IonicContact NH1-OD2 3.27Å; R239-D276 PolarHBondContact NH1-OD2 3.46Å; R239-D276 IonicContact NH2-OD1 3.41Å; R239-D276 PolarHBondContact NH2-OD1 3.43Å; R239-D276 IonicContact NH2-OD2 2.71Å; R239-D276 PolarHBondContact NH2-OD2 3.14Å; P255-D276 WeakPolarHBondContact CA-OD2 3.31Å; P255-D276 HydrophobicContact CB-CB 4.13Å; L256-D276 PolarHBondContact N-OD2 3.38Å; L256-D276 PolarHBondContact O-N 3.31Å; D276-T298 PolarHBondContact O-N 3.01Å |
| 277 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.3 | -175.1 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | A17 L256 I257 V258 Y275 T298 Q300 I332 | A17-V277 HydrophobicContact CB-CG2 3.65Å; L256-V277 PolarHBondContact O-N 2.71Å; L256-V277 VanDerWaalsContact O-N 3.15Å; I257-V277 WeakPolarHBondContact CA-O 3.45Å; I257-V277 HydrophobicContact CB-CB 4.11Å; I257-V277 HydrophobicContact CG1-CB 3.86Å; I257-V277 HydrophobicContact CG1-CG1 4.37Å; I257-V277 HydrophobicContact CG1-CG2 4.08Å; I257-V277 HydrophobicContact CG2-CB 3.89Å; I257-V277 HydrophobicContact CG2-CG1 3.81Å; V258-V277 PolarHBondContact N-O 3.12Å; Y275-V277 VanDerWaalsContact C-N 3.29Å; V277-T298 CarbonylContact C-O 3.58Å; V277-T298 VanDerWaalsContact CA-O 3.22Å; V277-T298 WeakPolarHBondContact CA-O 3.45Å; V277-T298 HydrophobicContact CG1-CG2 4.12Å; V277-T298 HydrophobicContact CG2-CG2 3.92Å; V277-Q300 HydrophobicContact CG1-CB 3.58Å; V277-I332 HydrophobicContact CG1-CD1 4.38Å; V277-I332 HydrophobicContact CG2-CD1 4.07Å |
| 278 | I | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.4 | 164.9 | -64.9 | 172.3 | 0 | 0 | 0 | 108.3 | V258 L267 L270 L280 V293 I297 T298 L299 Q300 | V258-I278 HydrophobicContact CG1-CG1 3.94Å; L267-I278 HydrophobicContact CD2-CG2 4.01Å; L270-I278 HydrophobicContact CB-CD1 3.93Å; L270-I278 HydrophobicContact CB-CG1 4.49Å; I278-L280 HydrophobicContact CG2-CD2 3.87Å; I278-V293 HydrophobicContact CD1-CB 4.4Å; I278-V293 HydrophobicContact CD1-CG1 3.85Å; I278-I297 HydrophobicContact CB-CG2 4.23Å; I278-I297 HydrophobicContact CD1-CG2 3.88Å; I278-I297 HydrophobicContact CG1-CG2 3.81Å; I278-T298 PolarHBondContact N-O 2.93Å; I278-L299 HydrophobicContact CB-CD2 4.21Å; I278-L299 WeakPolarHBondContact O-CA 3.27Å; I278-Q300 PolarHBondContact O-N 3.02Å |
| 279 | S | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 134.6 | 172.4 | -166.9 | 0 | 0 | 0 | 0 | 110 | V258 F259 Q300 | V258-S279 PolarHBondContact O-N 2.88Å; F259-S279 WeakPolarHBondContact CD2-O 3.18Å; S279-Q300 CarbonylContact C-O 3.04Å; S279-Q300 WeakPolarHBondContact CA-O 3.47Å; S279-Q300 VanDerWaalsContact CB-NE2 3.34Å; S279-Q300 PolarHBondContact OG-NE2 3.2Å |
| 280 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -111.2 | 144.1 | -174.5 | -55.7 | 174.3 | 0 | 0 | 0 | 110.5 | L267 I278 I284 A289 L299 Q300 N302 F326 G336 | L267-L280 HydrophobicContact CD2-CD2 3.53Å; I278-L280 HydrophobicContact CG2-CD2 3.87Å; L280-I284 HydrophobicContact CD2-CD1 4.02Å; L280-A289 HydrophobicContact CD1-CB 3.44Å; L280-A289 VanDerWaalsContact CD1-CB 3.44Å; L280-A289 HydrophobicContact CD2-CB 4.24Å; L280-L299 HydrophobicContact CD1-CB 4.4Å; L280-L299 HydrophobicContact CD1-CD1 4.19Å; L280-L299 HydrophobicContact CD1-CD2 3.99Å; L280-L299 HydrophobicContact CD1-CG 4.42Å; L280-L299 HydrophobicContact CD2-CD2 4.38Å; L280-L299 HydrophobicContact CG-CD2 4.28Å; L280-Q300 PolarHBondContact N-O 3.16Å; L280-N302 HydrophobicContact CB-CB 3.9Å; L280-N302 WeakPolarHBondContact O-CB 3.39Å; L280-F326 HydrophobicContact CD1-CE1 3.87Å; L280-F326 HydrophobicContact CD1-CZ 3.94Å; L280-G336 WeakPolarHBondContact O-CA 3.45Å | ||
| 281 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -80.3 | 171.1 | 161.9 | 65.5 | 72.5 | 0 | 0 | 0 | 111.4 | F259 K261 D262 T283 N302 G336 | F259-D281 HydrophobicContact CE2-CB 4.41Å; K261-D281 HydrophobicContact CG-CB 4.33Å; D262-D281 VanDerWaalsContact CA-OD2 3.27Å; D262-D281 WeakPolarHBondContact CA-OD2 3.32Å; D262-D281 PolarHBondContact N-OD2 3.15Å; D281-T283 PolarHBondContact O-N 3.41Å; D281-T283 VanDerWaalsContact OD1-CB 3.27Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.38Å; D281-T283 PolarHBondContact OD1-N 3Å; D281-T283 PolarHBondContact OD1-OG1 3.08Å; D281-N302 WeakPolarHBondContact O-CB 3.49Å; D281-N302 PolarHBondContact O-ND2 3.14Å; D281-G336 WeakPolarHBondContact CA-O 3.36Å | ||
| 282 | W | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 45.7 Ų | 45.7 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.8 | -172.6 | 72.7 | 92.9 | 0 | 0 | 0 | 114.6 | I284 N302 D304 H337 | W282-I284 VanDerWaalsContact C-N 3.27Å; W282-N302 WeakPolarHBondContact CA-O 3.41Å; W282-N302 WeakPolarHBondContact CB-O 3.34Å; W282-D304 HydrophobicContact CB-CB 3.88Å; W282-D304 HydrophobicContact CD2-CB 4.45Å; W282-D304 HydrophobicContact CG-CB 3.78Å; W282-H337 HydrophobicContact CE3-CB 4.33Å; W282-H337 HydrophobicContact CZ3-CB 3.8Å |
| 283 | T | 98.3 | Very high | 98.2 | Very high | 79 Ų | 79 | 40 Ų | 40 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.9 | -178.4 | 74.1 | 0 | 0 | 0 | 0 | 112.6 | D281 | D281-T283 PolarHBondContact O-N 3.41Å; D281-T283 VanDerWaalsContact OD1-CB 3.27Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.38Å; D281-T283 PolarHBondContact OD1-N 3Å; D281-T283 PolarHBondContact OD1-OG1 3.08Å |
| 284 | I | 97.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -100.1 | 123.8 | -176.2 | -52.3 | 174.4 | 0 | 0 | 0 | 109.2 | H264 L267 L280 W282 A289 N302 | H264-I284 HydrophobicContact CB-CD1 4Å; H264-I284 HydrophobicContact CB-CG1 3.88Å; L267-I284 HydrophobicContact CD1-CD1 4.27Å; L267-I284 HydrophobicContact CD1-CG2 3.9Å; L267-I284 HydrophobicContact CD2-CD1 4.4Å; L280-I284 HydrophobicContact CD2-CD1 4.02Å; W282-I284 VanDerWaalsContact C-N 3.27Å; I284-A289 HydrophobicContact CG2-CB 3.8Å; I284-N302 PolarHBondContact O-ND2 3.47Å |
| 285 | S | 97.5 | Very high | 98 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | trans | -60.5 | 130.8 | 170.6 | 167.3 | 0 | 0 | 0 | 0 | 110.2 | R287 L288 A289 | S285-R287 VanDerWaalsContact C-N 3.28Å; S285-R287 PolarHBondContact O-N 2.79Å; S285-R287 PolarHBondContact OG-N 3.38Å; S285-L288 PolarHBondContact O-N 3.29Å; S285-A289 PolarHBondContact O-N 2.91Å | ||
| 286 | P | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.1 | -40 | 177.5 | -26.6 | 34.3 | 0 | 0 | 0 | 113.4 | A289 R290 D325 F326 | P286-A289 PolarHBondContact O-N 3.16Å; P286-R290 WeakPolarHBondContact O-CB 3.45Å; P286-R290 PolarHBondContact O-N 3.15Å; P286-D325 HydrophobicContact CB-CB 3.88Å; P286-D325 HydrophobicContact CG-CB 3.97Å; P286-F326 HydrophobicContact CB-CD1 3.77Å; P286-F326 HydrophobicContact CB-CD2 3.6Å; P286-F326 HydrophobicContact CB-CE1 3.68Å; P286-F326 HydrophobicContact CB-CE2 3.54Å; P286-F326 HydrophobicContact CB-CG 3.72Å; P286-F326 HydrophobicContact CB-CZ 3.57Å; P286-F326 HydrophobicContact CG-CD2 3.77Å; P286-F326 HydrophobicContact CG-CE1 4.38Å; P286-F326 HydrophobicContact CG-CE2 3.41Å; P286-F326 VanDerWaalsContact CG-CE2 3.41Å; P286-F326 HydrophobicContact CG-CG 4.4Å; P286-F326 HydrophobicContact CG-CZ 3.74Å |
| 287 | R | 98 | Very high | 97.8 | Very high | 133 Ų | 133 | 45.5 Ų | 45.5 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -43.5 | 178 | -64.7 | -178.4 | -175.9 | -85 | -9.6 | 111.6 | S285 R290 N291 N324 D325 | S285-R287 VanDerWaalsContact C-N 3.28Å; S285-R287 PolarHBondContact O-N 2.79Å; S285-R287 PolarHBondContact OG-N 3.38Å; R287-R290 PolarHBondContact O-N 3.01Å; R287-N291 WeakPolarHBondContact O-CB 3.44Å; R287-N291 PolarHBondContact O-N 2.99Å; R287-N291 PolarHBondContact O-ND2 3.29Å; R287-N324 PolarHBondContact NH2-O 3.01Å; R287-D325 HydrophobicContact CG-CB 4.19Å; R287-D325 IonicContact CZ-OD1 2.72Å; R287-D325 IonicContact NE-OD1 3.84Å; R287-D325 PolarHBondContact NE-OD1 3.46Å; R287-D325 IonicContact NE-OD2 3.54Å; R287-D325 IonicContact NH2-OD1 2.79Å; R287-D325 PolarHBondContact NH2-OD1 3.43Å |
| 288 | L | 97.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 53% | 0.534 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -49 | 175 | 179.6 | 63.2 | 0 | 0 | 0 | 110.4 | S285 R290 N291 T292 | S285-L288 PolarHBondContact O-N 3.29Å; L288-R290 VanDerWaalsContact C-N 3.35Å; L288-R290 PolarHBondContact O-N 2.97Å; L288-N291 PolarHBondContact O-N 2.84Å; L288-T292 PolarHBondContact O-N 3.18Å; L288-T292 PolarHBondContact O-OG1 3.23Å |
| 289 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -48 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L267 L280 I284 S285 P286 N291 T292 V293 L299 | L267-A289 HydrophobicContact CD1-CB 4.24Å; L280-A289 HydrophobicContact CD1-CB 3.44Å; L280-A289 VanDerWaalsContact CD1-CB 3.44Å; L280-A289 HydrophobicContact CD2-CB 4.24Å; I284-A289 HydrophobicContact CG2-CB 3.8Å; S285-A289 PolarHBondContact O-N 2.91Å; P286-A289 PolarHBondContact O-N 3.16Å; A289-N291 PolarHBondContact O-N 2.82Å; A289-T292 PolarHBondContact O-N 2.91Å; A289-T292 VanDerWaalsContact O-N 3.15Å; A289-V293 WeakPolarHBondContact O-CG2 3.13Å; A289-V293 PolarHBondContact O-N 3.36Å; A289-L299 HydrophobicContact CB-CD1 4.02Å |
| 290 | R | 98.3 | Very high | 97.8 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.5 | 179.3 | 59.5 | 67.7 | -159.7 | 4.6 | 112.1 | P286 R287 L288 T292 G294 I297 L299 H329 R330 | P286-R290 WeakPolarHBondContact O-CB 3.45Å; P286-R290 PolarHBondContact O-N 3.15Å; R287-R290 PolarHBondContact O-N 3.01Å; L288-R290 VanDerWaalsContact C-N 3.35Å; L288-R290 PolarHBondContact O-N 2.97Å; R290-T292 VanDerWaalsContact C-N 3.29Å; R290-T292 PolarHBondContact O-N 2.93Å; R290-G294 PolarHBondContact NH1-O 3.27Å; R290-G294 WeakPolarHBondContact O-CA 3.3Å; R290-G294 PolarHBondContact O-N 3.01Å; R290-I297 PolarHBondContact NH1-O 3.5Å; R290-L299 HydrophobicContact CB-CD1 4.12Å; R290-H329 PolarHBondContact NH2-O 3.22Å; R290-R330 PolarHBondContact NH2-O 3.34Å |
| 291 | N | 97.6 | Very high | 97.8 | Very high | 134 Ų | 134 | 45.2 Ų | 45.2 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.5 | -35.4 | 176.7 | -72.1 | -18.6 | 0 | 0 | 0 | 112.1 | R287 L288 A289 | R287-N291 WeakPolarHBondContact O-CB 3.44Å; R287-N291 PolarHBondContact O-N 2.99Å; R287-N291 PolarHBondContact O-ND2 3.29Å; L288-N291 PolarHBondContact O-N 2.84Å; A289-N291 PolarHBondContact O-N 2.82Å |
| 292 | T | 97.9 | Very high | 97.8 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76.1 | -45.5 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | L267 T268 L288 A289 R290 | L267-T292 HydrophobicContact CB-CG2 3.71Å; T268-T292 WeakPolarHBondContact OG1-CG2 3.46Å; L288-T292 PolarHBondContact O-N 3.18Å; L288-T292 PolarHBondContact O-OG1 3.23Å; A289-T292 PolarHBondContact O-N 2.91Å; A289-T292 VanDerWaalsContact O-N 3.15Å; R290-T292 VanDerWaalsContact C-N 3.29Å; R290-T292 PolarHBondContact O-N 2.93Å |
| 293 | V | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -86.9 | -18.2 | -175.9 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | L267 I278 A289 H296 I297 L299 | L267-V293 HydrophobicContact CB-CG1 4.21Å; L267-V293 HydrophobicContact CD2-CG1 4.48Å; I278-V293 HydrophobicContact CD1-CB 4.4Å; I278-V293 HydrophobicContact CD1-CG1 3.85Å; A289-V293 WeakPolarHBondContact O-CG2 3.13Å; A289-V293 PolarHBondContact O-N 3.36Å; V293-H296 PolarHBondContact O-CE1 2.84Å; V293-I297 HydrophobicContact CB-CB 4.45Å; V293-I297 HydrophobicContact CG2-CB 4.2Å; V293-L299 HydrophobicContact CG1-CD2 4.46Å; V293-L299 HydrophobicContact CG2-CD1 4.31Å; V293-L299 HydrophobicContact CG2-CD2 3.71Å; V293-L299 HydrophobicContact CG2-CG 4.16Å |
| 294 | G | 95.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | trans | 81.7 | -172.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | R290 | R290-G294 PolarHBondContact NH1-O 3.27Å; R290-G294 WeakPolarHBondContact O-CA 3.3Å; R290-G294 PolarHBondContact O-N 3.01Å | ||
| 295 | S | 94.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 69% | 0.692 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -91.9 | 3.8 | -174.1 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | R330 | S295-R330 WeakPolarHBondContact O-CD 3.41Å; S295-R330 PolarHBondContact O-NE 2.99Å |
| 296 | H | 94.9 | Very high | 97.9 | Very high | 110 Ų | 110 | 40.4 Ų | 40.4 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -101.1 | -13.5 | -177 | 61.7 | -77.3 | 0 | 0 | 0 | 113.5 | V293 R330 | V293-H296 PolarHBondContact O-CE1 2.84Å; H296-R330 VanDerWaalsContact O-CZ 3.31Å; H296-R330 PolarHBondContact O-NH1 3.19Å |
| 297 | I | 97.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -103.3 | 138.9 | 177.2 | -59.5 | -61.7 | 0 | 0 | 0 | 109.7 | Y275 I278 R290 V293 | Y275-I297 WeakPolarHBondContact O-CD1 3.12Å; I278-I297 HydrophobicContact CB-CG2 4.23Å; I278-I297 HydrophobicContact CD1-CG2 3.88Å; I278-I297 HydrophobicContact CG1-CG2 3.81Å; R290-I297 PolarHBondContact NH1-O 3.5Å; V293-I297 HydrophobicContact CB-CB 4.45Å; V293-I297 HydrophobicContact CG2-CB 4.2Å |
| 298 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.2 | 169.8 | -75 | 0 | 0 | 0 | 0 | 110.5 | A16 A17 D276 V277 I278 R330 I332 | A16-T298 WeakPolarHBondContact O-CB 3.4Å; A16-T298 WeakPolarHBondContact O-CG2 3.35Å; A16-T298 PolarHBondContact O-OG1 2.67Å; A17-T298 PolarHBondContact O-OG1 2.91Å; D276-T298 PolarHBondContact O-N 3.01Å; V277-T298 CarbonylContact C-O 3.58Å; V277-T298 VanDerWaalsContact CA-O 3.22Å; V277-T298 WeakPolarHBondContact CA-O 3.45Å; V277-T298 HydrophobicContact CG1-CG2 4.12Å; V277-T298 HydrophobicContact CG2-CG2 3.92Å; I278-T298 PolarHBondContact N-O 2.93Å; T298-R330 WeakPolarHBondContact CA-O 3.5Å; T298-R330 WeakPolarHBondContact OG1-CA 3.39Å; T298-R330 WeakPolarHBondContact OG1-CB 3.27Å; T298-I332 HydrophobicContact CG2-CD1 3.95Å; T298-I332 HydrophobicContact CG2-CG1 3.94Å |
| 299 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142.9 | 173.9 | -67.2 | 178.1 | 0 | 0 | 0 | 109.5 | I278 L280 A289 R290 V293 F326 R330 Y331 I332 | I278-L299 HydrophobicContact CB-CD2 4.21Å; I278-L299 WeakPolarHBondContact O-CA 3.27Å; L280-L299 HydrophobicContact CD1-CB 4.4Å; L280-L299 HydrophobicContact CD1-CD1 4.19Å; L280-L299 HydrophobicContact CD1-CD2 3.99Å; L280-L299 HydrophobicContact CD1-CG 4.42Å; L280-L299 HydrophobicContact CD2-CD2 4.38Å; L280-L299 HydrophobicContact CG-CD2 4.28Å; A289-L299 HydrophobicContact CB-CD1 4.02Å; R290-L299 HydrophobicContact CB-CD1 4.12Å; V293-L299 HydrophobicContact CG1-CD2 4.46Å; V293-L299 HydrophobicContact CG2-CD1 4.31Å; V293-L299 HydrophobicContact CG2-CD2 3.71Å; V293-L299 HydrophobicContact CG2-CG 4.16Å; L299-F326 HydrophobicContact CB-CD1 4.07Å; L299-F326 HydrophobicContact CB-CE1 3.73Å; L299-F326 HydrophobicContact CD1-CD1 4.08Å; L299-F326 HydrophobicContact CD1-CE1 3.81Å; L299-F326 HydrophobicContact CG-CE1 4.4Å; L299-R330 PolarHBondContact N-O 3.23Å; L299-Y331 WeakPolarHBondContact O-CA 3.44Å; L299-Y331 WeakPolarHBondContact O-CD2 3.38Å; L299-I332 PolarHBondContact O-N 3.46Å |
| 300 | Q | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.4 | 173.2 | 174.1 | -179.6 | -84.4 | 0 | 0 | 110.8 | V277 I278 S279 L280 I332 N334 | V277-Q300 HydrophobicContact CG1-CB 3.58Å; I278-Q300 PolarHBondContact O-N 3.02Å; S279-Q300 CarbonylContact C-O 3.04Å; S279-Q300 WeakPolarHBondContact CA-O 3.47Å; S279-Q300 VanDerWaalsContact CB-NE2 3.34Å; S279-Q300 PolarHBondContact OG-NE2 3.2Å; L280-Q300 PolarHBondContact N-O 3.16Å; Q300-I332 CarbonylContact C-O 3.58Å; Q300-I332 WeakPolarHBondContact CA-O 3.49Å; Q300-I332 HydrophobicContact CB-CB 4.15Å; Q300-I332 HydrophobicContact CG-CB 4.2Å; Q300-I332 HydrophobicContact CG-CG2 4.12Å; Q300-N334 HydrophobicContact CG-CB 3.82Å |
| 301 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | -152.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y331 I332 N334 | G301-Y331 WeakPolarHBondContact O-CE2 3.22Å; G301-Y331 VanDerWaalsContact O-CZ 3.27Å; G301-Y331 PolarHBondContact O-OH 2.97Å; G301-I332 PolarHBondContact N-O 3.04Å; G301-N334 CarbonylContact C-O 3.4Å; G301-N334 WeakPolarHBondContact CA-O 3.4Å; G301-N334 PolarHBondContact O-N 2.95Å |
| 302 | N | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -137.2 | 29.7 | -9.7 | 74.2 | -31.4 | 0 | 0 | 0 | 113 | L280 D281 W282 I284 D304 M322 F326 N334 | L280-N302 HydrophobicContact CB-CB 3.9Å; L280-N302 WeakPolarHBondContact O-CB 3.39Å; D281-N302 WeakPolarHBondContact O-CB 3.49Å; D281-N302 PolarHBondContact O-ND2 3.14Å; W282-N302 WeakPolarHBondContact CA-O 3.41Å; W282-N302 WeakPolarHBondContact CB-O 3.34Å; I284-N302 PolarHBondContact O-ND2 3.47Å; N302-D304 PolarHBondContact O-N 3.38Å; N302-M322 PolarHBondContact N-SD 3.06Å; N302-M322 VanDerWaalsContact N-SD 3.42Å; N302-F326 HydrophobicContact CB-CZ 4.3Å; N302-F326 VanDerWaalsContact OD1-CE2 3.32Å; N302-F326 WeakPolarHBondContact OD1-CE2 3.32Å; N302-N334 PolarHBondContact N-O 2.79Å |
| 303 | L | 98.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 132.7 | -177.3 | -173 | 67.8 | 0 | 0 | 0 | 111.2 | P305 A307 L308 L318 V319 M322 N334 L335 G336 F351 | L303-P305 WeakPolarHBondContact O-CD 3.35Å; L303-A307 HydrophobicContact CD1-CB 3.86Å; L303-A307 HydrophobicContact CD2-CB 4.15Å; L303-A307 HydrophobicContact CG-CB 3.89Å; L303-L308 HydrophobicContact CD2-CD2 4.34Å; L303-L318 HydrophobicContact CD1-CB 4.04Å; L303-V319 HydrophobicContact CD2-CG2 4.15Å; L303-M322 HydrophobicContact CB-CE 4.16Å; L303-M322 HydrophobicContact CB-SD 3.68Å; L303-M322 PolarHBondContact N-SD 3.4Å; L303-N334 PolarHBondContact N-O 2.77Å; L303-L335 HydrophobicContact CB-CD2 4.09Å; L303-L335 HydrophobicContact CD2-CD2 4.13Å; L303-L335 HydrophobicContact CG-CD2 4.44Å; L303-L335 CarbonylContact O-C 3.55Å; L303-L335 VanDerWaalsContact O-CA 3.31Å; L303-L335 WeakPolarHBondContact O-CA 3.44Å; L303-G336 PolarHBondContact O-N 3.43Å; L303-F351 HydrophobicContact CB-CE2 4.45Å; L303-F351 HydrophobicContact CD2-CD2 3.74Å; L303-F351 HydrophobicContact CD2-CE2 3.57Å; L303-F351 HydrophobicContact CD2-CZ 4.42Å |
| 304 | D | 98.7 | Very high | 97.6 | Very high | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | trans | -54.7 | 123.6 | 171.7 | -178.7 | -6.6 | 0 | 0 | 0 | 109.6 | W282 N302 C306 A307 | W282-D304 HydrophobicContact CB-CB 3.88Å; W282-D304 HydrophobicContact CD2-CB 4.45Å; W282-D304 HydrophobicContact CG-CB 3.78Å; N302-D304 PolarHBondContact O-N 3.38Å; D304-C306 PolarHBondContact O-N 3.33Å; D304-C306 VanDerWaalsContact O-N 3.12Å; D304-C306 WeakPolarHBondContact OD1-CB 3.2Å; D304-C306 PolarHBondContact OD1-N 2.82Å; D304-A307 WeakPolarHBondContact O-CB 3.49Å; D304-A307 PolarHBondContact O-N 3.34Å | ||
| 305 | P | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -52.4 | -33 | 175 | -25.1 | 32.7 | 0 | 0 | 0 | 113.5 | L303 A307 L308 L335 H337 Y340 | L303-P305 WeakPolarHBondContact O-CD 3.35Å; P305-A307 PolarHBondContact O-N 3.42Å; P305-L308 PolarHBondContact O-N 2.62Å; P305-L335 HydrophobicContact CB-CD1 4.23Å; P305-L335 HydrophobicContact CG-CB 4.28Å; P305-L335 HydrophobicContact CG-CD1 4.45Å; P305-H337 HydrophobicContact CG-CB 4.04Å; P305-Y340 HydrophobicContact CB-CD2 4.24Å; P305-Y340 HydrophobicContact CB-CE2 3.95Å |
| 306 | C | 98.6 | Very high | 97.9 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -65.3 | -22.2 | 176.5 | -75.2 | 0 | 0 | 0 | 0 | 113.3 | D304 L308 Y309 Y340 | D304-C306 PolarHBondContact O-N 3.33Å; D304-C306 VanDerWaalsContact O-N 3.12Å; D304-C306 WeakPolarHBondContact OD1-CB 3.2Å; D304-C306 PolarHBondContact OD1-N 2.82Å; C306-L308 PolarHBondContact O-N 3.4Å; C306-L308 VanDerWaalsContact O-N 3.12Å; C306-Y309 HydrophobicContact CB-CD2 4.13Å; C306-Y309 HydrophobicContact CB-CE2 4.33Å; C306-Y309 VanDerWaalsContact O-CD2 3.26Å; C306-Y309 WeakPolarHBondContact O-CD2 3.43Å; C306-Y309 PolarHBondContact O-N 3.35Å; C306-Y340 VanDerWaalsContact SG-CE2 3.59Å |
| 307 | A | 98.4 | Very high | 98 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -56.9 | -29.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L303 D304 P305 Y309 S310 L318 | L303-A307 HydrophobicContact CD1-CB 3.86Å; L303-A307 HydrophobicContact CD2-CB 4.15Å; L303-A307 HydrophobicContact CG-CB 3.89Å; D304-A307 WeakPolarHBondContact O-CB 3.49Å; D304-A307 PolarHBondContact O-N 3.34Å; P305-A307 PolarHBondContact O-N 3.42Å; A307-Y309 PolarHBondContact O-N 2.97Å; A307-S310 WeakPolarHBondContact O-CB 3.18Å; A307-S310 PolarHBondContact O-N 2.94Å; A307-S310 PolarHBondContact O-OG 3.24Å; A307-L318 HydrophobicContact CB-CD1 3.8Å |
| 308 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.3 | -15.2 | 179.5 | -59.6 | -177.8 | 0 | 0 | 0 | 114 | L303 P305 C306 S310 L335 I339 V343 K347 V348 F351 | L303-L308 HydrophobicContact CD2-CD2 4.34Å; P305-L308 PolarHBondContact O-N 2.62Å; C306-L308 PolarHBondContact O-N 3.4Å; C306-L308 VanDerWaalsContact O-N 3.12Å; L308-S310 PolarHBondContact O-N 2.86Å; L308-L335 HydrophobicContact CD1-CD1 3.99Å; L308-L335 HydrophobicContact CD1-CD2 4.18Å; L308-I339 HydrophobicContact CD1-CD1 4.07Å; L308-I339 HydrophobicContact CD1-CG1 4.45Å; L308-V343 HydrophobicContact CB-CG1 3.71Å; L308-V343 HydrophobicContact CB-CG2 4.49Å; L308-V343 HydrophobicContact CD1-CG1 3.99Å; L308-K347 HydrophobicContact CB-CB 4.43Å; L308-K347 WeakPolarHBondContact O-CB 3.45Å; L308-K347 WeakPolarHBondContact O-CG 3.36Å; L308-V348 HydrophobicContact CD1-CG2 4.25Å; L308-F351 HydrophobicContact CD2-CB 3.93Å; L308-F351 HydrophobicContact CD2-CG 4.24Å |
| 309 | Y | 98.4 | Very high | 98 | Very high | 98 Ų | 98 | 39.2 Ų | 39.2 | 38% | 0.384 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -74.7 | -9 | 170.1 | -60.5 | -63 | 0 | 0 | 0 | 113.2 | C306 A307 Y340 D342 V343 | C306-Y309 HydrophobicContact CB-CD2 4.13Å; C306-Y309 HydrophobicContact CB-CE2 4.33Å; C306-Y309 VanDerWaalsContact O-CD2 3.26Å; C306-Y309 WeakPolarHBondContact O-CD2 3.43Å; C306-Y309 PolarHBondContact O-N 3.35Å; A307-Y309 PolarHBondContact O-N 2.97Å; Y309-Y340 HydrophobicContact CE2-CD2 4.1Å; Y309-Y340 VanDerWaalsContact OH-CB 3.25Å; Y309-Y340 WeakPolarHBondContact OH-CB 3.37Å; Y309-Y340 WeakPolarHBondContact OH-CD2 3.39Å; Y309-D342 VanDerWaalsContact OH-CG 3.23Å; Y309-D342 PolarHBondContact OH-OD1 3.48Å; Y309-D342 PolarHBondContact OH-OD2 2.89Å; Y309-V343 HydrophobicContact CD1-CG2 4.32Å; Y309-V343 HydrophobicContact CE1-CB 4.45Å; Y309-V343 HydrophobicContact CE1-CG2 3.68Å; Y309-V343 HydrophobicContact CE2-CG2 4.44Å |
| 310 | S | 97.5 | Very high | 97.9 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -76.7 | 168.7 | -176.4 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | A307 L308 K347 | A307-S310 WeakPolarHBondContact O-CB 3.18Å; A307-S310 PolarHBondContact O-N 2.94Å; A307-S310 PolarHBondContact O-OG 3.24Å; L308-S310 PolarHBondContact O-N 2.86Å; S310-K347 PolarHBondContact O-NZ 3.2Å |
| 311 | N | 96.6 | Very high | 97.8 | Very high | 97 Ų | 97 | 50 Ų | 50 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | trans | -67.7 | 161.3 | 169.1 | 69.5 | 65.5 | 0 | 0 | 0 | 111 | N313 Q314 I315 | N311-N313 VanDerWaalsContact C-N 3.28Å; N311-N313 PolarHBondContact O-N 2.96Å; N311-N313 WeakPolarHBondContact OD1-CB 3.29Å; N311-N313 PolarHBondContact OD1-N 3.33Å; N311-N313 VanDerWaalsContact OD1-N 3.12Å; N311-Q314 PolarHBondContact O-N 3.47Å; N311-Q314 VanDerWaalsContact O-N 3.14Å; N311-Q314 PolarHBondContact OD1-N 2.83Å; N311-I315 PolarHBondContact O-N 2.79Å | ||
| 312 | E | 95.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | -173.9 | -67.6 | -173 | -157.5 | 0 | 0 | 114 | I315 S316 K350 | E312-I315 PolarHBondContact O-N 2.73Å; E312-S316 WeakPolarHBondContact O-CB 3.37Å; E312-S316 PolarHBondContact O-N 2.91Å; E312-S316 PolarHBondContact O-OG 3.5Å; E312-K350 HydrophobicContact CG-CG 4.37Å; E312-K350 IonicContact OE2-NZ 3.19Å |
| 313 | N | 96.7 | Very high | 97.7 | Very high | 126 Ų | 126 | 50.1 Ų | 50.1 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 178.1 | -67.5 | -21 | 0 | 0 | 0 | 110.6 | N311 S316 S317 | N311-N313 VanDerWaalsContact C-N 3.28Å; N311-N313 PolarHBondContact O-N 2.96Å; N311-N313 WeakPolarHBondContact OD1-CB 3.29Å; N311-N313 PolarHBondContact OD1-N 3.33Å; N311-N313 VanDerWaalsContact OD1-N 3.12Å; N313-S316 WeakPolarHBondContact O-CB 3.12Å; N313-S316 PolarHBondContact O-N 2.97Å; N313-S317 PolarHBondContact O-N 3.14Å; N313-S317 PolarHBondContact O-OG 2.97Å |
| 314 | Q | 97.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.6 | -173.4 | 61.5 | 31.1 | 0 | 0 | 111.8 | N311 S316 S317 L318 | N311-Q314 PolarHBondContact O-N 3.47Å; N311-Q314 VanDerWaalsContact O-N 3.14Å; N311-Q314 PolarHBondContact OD1-N 2.83Å; Q314-S316 PolarHBondContact O-N 3.02Å; Q314-S317 PolarHBondContact O-N 3.34Å; Q314-L318 HydrophobicContact CG-CD1 4Å; Q314-L318 HydrophobicContact CG-CG 4.42Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.25Å; Q314-L318 PolarHBondContact O-N 2.78Å |
| 315 | I | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.4 | -42.6 | 171.7 | -67.4 | 171.9 | 0 | 0 | 0 | 109.4 | N311 E312 S317 L318 V319 K347 | N311-I315 PolarHBondContact O-N 2.79Å; E312-I315 PolarHBondContact O-N 2.73Å; I315-S317 PolarHBondContact O-N 3.28Å; I315-L318 PolarHBondContact O-N 3.12Å; I315-V319 HydrophobicContact CG2-CG2 4.14Å; I315-V319 WeakPolarHBondContact O-CB 3.39Å; I315-V319 VanDerWaalsContact O-CG2 3.25Å; I315-V319 WeakPolarHBondContact O-CG2 3.49Å; I315-V319 PolarHBondContact O-N 3.26Å; I315-K347 HydrophobicContact CD1-CB 4.15Å; I315-K347 HydrophobicContact CD1-CD 3.7Å; I315-K347 HydrophobicContact CD1-CG 4.41Å |
| 316 | S | 97.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | -178.7 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | E312 N313 Q314 K320 | E312-S316 WeakPolarHBondContact O-CB 3.37Å; E312-S316 PolarHBondContact O-N 2.91Å; E312-S316 PolarHBondContact O-OG 3.5Å; N313-S316 WeakPolarHBondContact O-CB 3.12Å; N313-S316 PolarHBondContact O-N 2.97Å; Q314-S316 PolarHBondContact O-N 3.02Å; S316-K320 WeakPolarHBondContact O-CB 3.26Å; S316-K320 PolarHBondContact O-N 2.87Å; S316-K320 VanDerWaalsContact O-N 3.09Å |
| 317 | S | 97.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 112 | N313 Q314 I315 K320 E321 | N313-S317 PolarHBondContact O-N 3.14Å; N313-S317 PolarHBondContact O-OG 2.97Å; Q314-S317 PolarHBondContact O-N 3.34Å; I315-S317 PolarHBondContact O-N 3.28Å; S317-K320 PolarHBondContact O-N 3.15Å; S317-E321 WeakPolarHBondContact O-CB 3.37Å; S317-E321 PolarHBondContact O-N 3.06Å |
| 318 | L | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | -177.4 | -69.4 | 170.4 | 0 | 0 | 0 | 112.5 | L303 A307 Q314 I315 E321 M322 | L303-L318 HydrophobicContact CD1-CB 4.04Å; A307-L318 HydrophobicContact CB-CD1 3.8Å; Q314-L318 HydrophobicContact CG-CD1 4Å; Q314-L318 HydrophobicContact CG-CG 4.42Å; Q314-L318 VanDerWaalsContact O-CG 3.28Å; Q314-L318 WeakPolarHBondContact O-CG 3.25Å; Q314-L318 PolarHBondContact O-N 2.78Å; I315-L318 PolarHBondContact O-N 3.12Å; L318-E321 PolarHBondContact O-N 2.69Å; L318-M322 WeakPolarHBondContact O-CB 3.42Å; L318-M322 PolarHBondContact O-N 2.82Å |
| 319 | V | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | L303 I315 M322 I323 F351 L354 V355 L358 | L303-V319 HydrophobicContact CD2-CG2 4.15Å; I315-V319 HydrophobicContact CG2-CG2 4.14Å; I315-V319 WeakPolarHBondContact O-CB 3.39Å; I315-V319 VanDerWaalsContact O-CG2 3.25Å; I315-V319 WeakPolarHBondContact O-CG2 3.49Å; I315-V319 PolarHBondContact O-N 3.26Å; V319-M322 PolarHBondContact O-N 3.28Å; V319-I323 HydrophobicContact CG1-CD1 3.85Å; V319-I323 HydrophobicContact CG1-CG1 4.44Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.85Å; V319-F351 HydrophobicContact CG2-CD2 3.53Å; V319-F351 HydrophobicContact CG2-CE2 3.86Å; V319-L354 HydrophobicContact CB-CD2 3.55Å; V319-L354 HydrophobicContact CB-CG 4.37Å; V319-L354 HydrophobicContact CG1-CD2 3.75Å; V319-L354 HydrophobicContact CG1-CG 4.03Å; V319-L354 HydrophobicContact CG2-CD2 4.01Å; V319-V355 HydrophobicContact CG1-CG2 3.79Å; V319-L358 HydrophobicContact CG1-CD1 4.14Å |
| 320 | K | 97.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 58 Ų | 58 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.5 | -177.6 | 175.2 | 179.8 | 178.7 | 0 | 111.7 | S316 S317 I323 N324 L358 | S316-K320 WeakPolarHBondContact O-CB 3.26Å; S316-K320 PolarHBondContact O-N 2.87Å; S316-K320 VanDerWaalsContact O-N 3.09Å; S317-K320 PolarHBondContact O-N 3.15Å; K320-I323 PolarHBondContact O-N 2.94Å; K320-N324 WeakPolarHBondContact O-CB 3.27Å; K320-N324 PolarHBondContact O-N 3Å; K320-N324 PolarHBondContact O-ND2 2.88Å; K320-L358 HydrophobicContact CB-CD1 3.87Å; K320-L358 HydrophobicContact CG-CD1 4.41Å |
| 321 | E | 97.4 | Very high | 96.9 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 175.3 | -175.1 | 178.2 | 169.3 | 0 | 0 | 111.3 | S317 L318 I323 N324 D325 | S317-E321 WeakPolarHBondContact O-CB 3.37Å; S317-E321 PolarHBondContact O-N 3.06Å; L318-E321 PolarHBondContact O-N 2.69Å; E321-I323 PolarHBondContact O-N 3.18Å; E321-N324 PolarHBondContact O-N 2.67Å; E321-D325 WeakPolarHBondContact O-CB 3.47Å; E321-D325 PolarHBondContact O-N 2.84Å |
| 322 | M | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.2 | -49.5 | 177 | 179.9 | -177.8 | 65.5 | 0 | 0 | 112.1 | N302 L303 L318 V319 N324 D325 F326 Y331 V333 F351 | N302-M322 PolarHBondContact N-SD 3.06Å; N302-M322 VanDerWaalsContact N-SD 3.42Å; L303-M322 HydrophobicContact CB-CE 4.16Å; L303-M322 HydrophobicContact CB-SD 3.68Å; L303-M322 PolarHBondContact N-SD 3.4Å; L318-M322 WeakPolarHBondContact O-CB 3.42Å; L318-M322 PolarHBondContact O-N 2.82Å; V319-M322 PolarHBondContact O-N 3.28Å; M322-N324 VanDerWaalsContact C-N 3.34Å; M322-N324 PolarHBondContact O-N 3.43Å; M322-D325 PolarHBondContact O-N 3.01Å; M322-F326 HydrophobicContact CG-CD2 3.8Å; M322-F326 HydrophobicContact CG-CE2 3.84Å; M322-F326 WeakPolarHBondContact O-CD2 3.32Å; M322-F326 PolarHBondContact O-N 2.94Å; M322-Y331 WeakPolarHBondContact CE-OH 3.28Å; M322-Y331 PolarHBondContact SD-OH 2.74Å; M322-V333 HydrophobicContact CE-CG1 3.72Å; M322-F351 HydrophobicContact CE-CE2 4.19Å |
| 323 | I | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 179.4 | -69.5 | 172.6 | 0 | 0 | 0 | 111 | L25 V319 K320 E321 D325 F326 G327 Y331 V355 L358 M362 | L25-I323 HydrophobicContact CD1-CD1 4.4Å; L25-I323 HydrophobicContact CD1-CG1 4.19Å; L25-I323 HydrophobicContact CD1-CG2 3.89Å; V319-I323 HydrophobicContact CG1-CD1 3.85Å; V319-I323 HydrophobicContact CG1-CG1 4.44Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.85Å; K320-I323 PolarHBondContact O-N 2.94Å; E321-I323 PolarHBondContact O-N 3.18Å; I323-D325 VanDerWaalsContact C-N 3.26Å; I323-D325 PolarHBondContact O-N 3.29Å; I323-F326 PolarHBondContact O-N 2.99Å; I323-G327 WeakPolarHBondContact O-CA 3.5Å; I323-G327 PolarHBondContact O-N 3.41Å; I323-Y331 HydrophobicContact CG1-CE1 4.36Å; I323-V355 HydrophobicContact CD1-CG2 4.39Å; I323-L358 HydrophobicContact CD1-CB 4.04Å; I323-L358 HydrophobicContact CD1-CD1 4.06Å; I323-M362 HydrophobicContact CG2-CE 4.38Å; I323-M362 HydrophobicContact CG2-SD 3.6Å |
| 324 | N | 96.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.9 | -32.8 | 176.9 | -74.7 | -23.1 | 0 | 0 | 0 | 112.8 | R287 K320 E321 M322 | R287-N324 PolarHBondContact NH2-O 3.01Å; K320-N324 WeakPolarHBondContact O-CB 3.27Å; K320-N324 PolarHBondContact O-N 3Å; K320-N324 PolarHBondContact O-ND2 2.88Å; E321-N324 PolarHBondContact O-N 2.67Å; M322-N324 VanDerWaalsContact C-N 3.34Å; M322-N324 PolarHBondContact O-N 3.43Å |
| 325 | D | 97.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 37 Ų | 37 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -80.1 | -34 | -179.1 | -86.1 | 5.6 | 0 | 0 | 0 | 113.3 | P286 R287 E321 M322 I323 | P286-D325 HydrophobicContact CB-CB 3.88Å; P286-D325 HydrophobicContact CG-CB 3.97Å; R287-D325 HydrophobicContact CG-CB 4.19Å; R287-D325 IonicContact CZ-OD1 2.72Å; R287-D325 IonicContact NE-OD1 3.84Å; R287-D325 PolarHBondContact NE-OD1 3.46Å; R287-D325 IonicContact NE-OD2 3.54Å; R287-D325 IonicContact NH2-OD1 2.79Å; R287-D325 PolarHBondContact NH2-OD1 3.43Å; E321-D325 WeakPolarHBondContact O-CB 3.47Å; E321-D325 PolarHBondContact O-N 2.84Å; M322-D325 PolarHBondContact O-N 3.01Å; I323-D325 VanDerWaalsContact C-N 3.26Å; I323-D325 PolarHBondContact O-N 3.29Å |
| 326 | F | 97.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.6 | -36.3 | 171.8 | -82.4 | -72.3 | 0 | 0 | 0 | 113.2 | L280 P286 L299 N302 M322 I323 Y331 | L280-F326 HydrophobicContact CD1-CE1 3.87Å; L280-F326 HydrophobicContact CD1-CZ 3.94Å; P286-F326 HydrophobicContact CB-CD1 3.77Å; P286-F326 HydrophobicContact CB-CD2 3.6Å; P286-F326 HydrophobicContact CB-CE1 3.68Å; P286-F326 HydrophobicContact CB-CE2 3.54Å; P286-F326 HydrophobicContact CB-CG 3.72Å; P286-F326 HydrophobicContact CB-CZ 3.57Å; P286-F326 HydrophobicContact CG-CD2 3.77Å; P286-F326 HydrophobicContact CG-CE1 4.38Å; P286-F326 HydrophobicContact CG-CE2 3.41Å; P286-F326 VanDerWaalsContact CG-CE2 3.41Å; P286-F326 HydrophobicContact CG-CG 4.4Å; P286-F326 HydrophobicContact CG-CZ 3.74Å; L299-F326 HydrophobicContact CB-CD1 4.07Å; L299-F326 HydrophobicContact CB-CE1 3.73Å; L299-F326 HydrophobicContact CD1-CD1 4.08Å; L299-F326 HydrophobicContact CD1-CE1 3.81Å; L299-F326 HydrophobicContact CG-CE1 4.4Å; N302-F326 HydrophobicContact CB-CZ 4.3Å; N302-F326 VanDerWaalsContact OD1-CE2 3.32Å; N302-F326 WeakPolarHBondContact OD1-CE2 3.32Å; M322-F326 HydrophobicContact CG-CD2 3.8Å; M322-F326 HydrophobicContact CG-CE2 3.84Å; M322-F326 WeakPolarHBondContact O-CD2 3.32Å; M322-F326 PolarHBondContact O-N 2.94Å; I323-F326 PolarHBondContact O-N 2.99Å; F326-Y331 HydrophobicContact CB-CD1 3.58Å; F326-Y331 HydrophobicContact CB-CD2 3.93Å; F326-Y331 HydrophobicContact CB-CE1 3.64Å; F326-Y331 HydrophobicContact CB-CE2 4.02Å; F326-Y331 HydrophobicContact CB-CG 3.75Å; F326-Y331 AromaticContact CD1-CD2 3.74Å; F326-Y331 HydrophobicContact CD1-CD2 3.74Å; F326-Y331 AromaticContact CD1-CE2 3.8Å; F326-Y331 HydrophobicContact CD1-CE2 3.8Å; F326-Y331 HydrophobicContact CD1-CG 4.34Å; F326-Y331 HydrophobicContact CD2-CD2 4.1Å; F326-Y331 AromaticContact CD2-CE1 3.89Å; F326-Y331 HydrophobicContact CD2-CE1 3.89Å; F326-Y331 AromaticContact CD2-CE2 3.41Å; F326-Y331 HydrophobicContact CD2-CE2 3.41Å; F326-Y331 VanDerWaalsContact CD2-CE2 3.41Å; F326-Y331 AromaticContact CD2-CZ 3.28Å; F326-Y331 WeakPolarHBondContact CD2-OH 3.36Å; F326-Y331 HydrophobicContact CE1-CD2 4.26Å; F326-Y331 HydrophobicContact CE1-CE2 4.09Å; F326-Y331 AromaticContact CE2-CE2 3.7Å; F326-Y331 HydrophobicContact CE2-CE2 3.7Å; F326-Y331 AromaticContact CE2-CZ 3.85Å; F326-Y331 HydrophobicContact CG-CD1 4.14Å; F326-Y331 AromaticContact CG-CD2 3.66Å; F326-Y331 HydrophobicContact CG-CD2 3.66Å; F326-Y331 AromaticContact CG-CE1 3.93Å; F326-Y331 HydrophobicContact CG-CE1 3.93Å; F326-Y331 AromaticContact CG-CE2 3.46Å; F326-Y331 HydrophobicContact CG-CE2 3.46Å; F326-Y331 VanDerWaalsContact CG-CE2 3.46Å; F326-Y331 HydrophobicContact CG-CG 4.03Å; F326-Y331 AromaticContact CG-CZ 3.62Å; F326-Y331 HydrophobicContact CZ-CE2 4.04Å |
| 327 | G | 94.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 37.2 Ų | 37.2 | 24% | 0.237 | 19% | 0.188 | C | C | . | . | trans | 75.8 | -174.9 | -163.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I323 Y331 | I323-G327 WeakPolarHBondContact O-CA 3.5Å; I323-G327 PolarHBondContact O-N 3.41Å; G327-Y331 VanDerWaalsContact O-CD1 3.31Å; G327-Y331 WeakPolarHBondContact O-CD1 3.23Å | ||
| 328 | I | 92.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 34 Ų | 34 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -99.4 | -5.5 | -174.2 | 64.3 | -174.9 | 0 | 0 | 0 | 114.6 | L25 M362 L363 | L25-I328 HydrophobicContact CD1-CG2 4.46Å; I328-M362 WeakPolarHBondContact CD1-O 3.37Å; I328-M362 HydrophobicContact CG2-CB 3.82Å; I328-M362 HydrophobicContact CG2-CE 4.12Å; I328-M362 HydrophobicContact CG2-SD 4.17Å; I328-L363 HydrophobicContact CD1-CD2 3.64Å; I328-L363 HydrophobicContact CD1-CG 4.08Å; I328-L363 HydrophobicContact CG1-CD2 4.32Å |
| 329 | H | 93.8 | Very high | 97.4 | Very high | 139 Ų | 139 | 32 Ų | 32 | 64% | 0.644 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -101.9 | 138.8 | -178.8 | -62.1 | -61.3 | 0 | 0 | 0 | 111.1 | R290 Y331 | R290-H329 PolarHBondContact NH2-O 3.22Å; H329-Y331 VanDerWaalsContact C-N 3.26Å; H329-Y331 PolarHBondContact O-N 3.45Å |
| 330 | R | 97.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 27% | 0.272 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 51.5 | 48 | 176.7 | -76.7 | -176 | 178.1 | -79.4 | -0.2 | 112.1 | R290 S295 H296 T298 L299 | R290-R330 PolarHBondContact NH2-O 3.34Å; S295-R330 WeakPolarHBondContact O-CD 3.41Å; S295-R330 PolarHBondContact O-NE 2.99Å; H296-R330 VanDerWaalsContact O-CZ 3.31Å; H296-R330 PolarHBondContact O-NH1 3.19Å; T298-R330 WeakPolarHBondContact CA-O 3.5Å; T298-R330 WeakPolarHBondContact OG1-CA 3.39Å; T298-R330 WeakPolarHBondContact OG1-CB 3.27Å; L299-R330 PolarHBondContact N-O 3.23Å |
| 331 | Y | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.2 | -177.2 | -179.3 | -141.9 | 0 | 0 | 0 | 111.2 | L25 L299 G301 M322 I323 F326 G327 H329 V333 | L25-Y331 HydrophobicContact CD1-CD1 3.65Å; L25-Y331 HydrophobicContact CD1-CE1 3.93Å; L25-Y331 HydrophobicContact CD2-CD1 3.82Å; L25-Y331 HydrophobicContact CD2-CG 4.32Å; L25-Y331 HydrophobicContact CG-CD1 4.39Å; L299-Y331 WeakPolarHBondContact O-CA 3.44Å; L299-Y331 WeakPolarHBondContact O-CD2 3.38Å; G301-Y331 WeakPolarHBondContact O-CE2 3.22Å; G301-Y331 VanDerWaalsContact O-CZ 3.27Å; G301-Y331 PolarHBondContact O-OH 2.97Å; M322-Y331 WeakPolarHBondContact CE-OH 3.28Å; M322-Y331 PolarHBondContact SD-OH 2.74Å; I323-Y331 HydrophobicContact CG1-CE1 4.36Å; F326-Y331 HydrophobicContact CB-CD1 3.58Å; F326-Y331 HydrophobicContact CB-CD2 3.93Å; F326-Y331 HydrophobicContact CB-CE1 3.64Å; F326-Y331 HydrophobicContact CB-CE2 4.02Å; F326-Y331 HydrophobicContact CB-CG 3.75Å; F326-Y331 AromaticContact CD1-CD2 3.74Å; F326-Y331 HydrophobicContact CD1-CD2 3.74Å; F326-Y331 AromaticContact CD1-CE2 3.8Å; F326-Y331 HydrophobicContact CD1-CE2 3.8Å; F326-Y331 HydrophobicContact CD1-CG 4.34Å; F326-Y331 HydrophobicContact CD2-CD2 4.1Å; F326-Y331 AromaticContact CD2-CE1 3.89Å; F326-Y331 HydrophobicContact CD2-CE1 3.89Å; F326-Y331 AromaticContact CD2-CE2 3.41Å; F326-Y331 HydrophobicContact CD2-CE2 3.41Å; F326-Y331 VanDerWaalsContact CD2-CE2 3.41Å; F326-Y331 AromaticContact CD2-CZ 3.28Å; F326-Y331 WeakPolarHBondContact CD2-OH 3.36Å; F326-Y331 HydrophobicContact CE1-CD2 4.26Å; F326-Y331 HydrophobicContact CE1-CE2 4.09Å; F326-Y331 AromaticContact CE2-CE2 3.7Å; F326-Y331 HydrophobicContact CE2-CE2 3.7Å; F326-Y331 AromaticContact CE2-CZ 3.85Å; F326-Y331 HydrophobicContact CG-CD1 4.14Å; F326-Y331 AromaticContact CG-CD2 3.66Å; F326-Y331 HydrophobicContact CG-CD2 3.66Å; F326-Y331 AromaticContact CG-CE1 3.93Å; F326-Y331 HydrophobicContact CG-CE1 3.93Å; F326-Y331 AromaticContact CG-CE2 3.46Å; F326-Y331 HydrophobicContact CG-CE2 3.46Å; F326-Y331 VanDerWaalsContact CG-CE2 3.46Å; F326-Y331 HydrophobicContact CG-CG 4.03Å; F326-Y331 AromaticContact CG-CZ 3.62Å; F326-Y331 HydrophobicContact CZ-CE2 4.04Å; G327-Y331 VanDerWaalsContact O-CD1 3.31Å; G327-Y331 WeakPolarHBondContact O-CD1 3.23Å; H329-Y331 VanDerWaalsContact C-N 3.26Å; H329-Y331 PolarHBondContact O-N 3.45Å; Y331-V333 HydrophobicContact CD1-CG2 4.07Å; Y331-V333 HydrophobicContact CE1-CG2 3.39Å; Y331-V333 HydrophobicContact CE2-CG2 4.39Å |
| 332 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.3 | 170.4 | -61.4 | 168.9 | 0 | 0 | 0 | 107.2 | I13 A16 A17 P26 V277 T298 L299 Q300 G301 N334 | I13-I332 HydrophobicContact CD1-CG2 3.99Å; I13-I332 HydrophobicContact CG1-CD1 3.85Å; I13-I332 HydrophobicContact CG1-CG1 4.21Å; I13-I332 HydrophobicContact CG1-CG2 3.98Å; A16-I332 HydrophobicContact CB-CD1 4.41Å; A16-I332 HydrophobicContact CB-CG1 3.73Å; A17-I332 HydrophobicContact CB-CD1 4.01Å; P26-I332 HydrophobicContact CG-CG1 4.12Å; P26-I332 HydrophobicContact CG-CG2 4.45Å; V277-I332 HydrophobicContact CG1-CD1 4.38Å; V277-I332 HydrophobicContact CG2-CD1 4.07Å; T298-I332 HydrophobicContact CG2-CD1 3.95Å; T298-I332 HydrophobicContact CG2-CG1 3.94Å; L299-I332 PolarHBondContact O-N 3.46Å; Q300-I332 CarbonylContact C-O 3.58Å; Q300-I332 WeakPolarHBondContact CA-O 3.49Å; Q300-I332 HydrophobicContact CB-CB 4.15Å; Q300-I332 HydrophobicContact CG-CB 4.2Å; Q300-I332 HydrophobicContact CG-CG2 4.12Å; G301-I332 PolarHBondContact N-O 3.04Å; I332-N334 PolarHBondContact O-N 2.91Å |
| 333 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.9 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | L25 P26 V27 W28 M322 Y331 F351 V355 | L25-V333 HydrophobicContact CB-CG2 4.1Å; L25-V333 HydrophobicContact CD1-CG2 4.09Å; P26-V333 PolarHBondContact O-N 3.31Å; V27-V333 WeakPolarHBondContact CA-O 3.43Å; V27-V333 HydrophobicContact CB-CB 4.03Å; V27-V333 HydrophobicContact CB-CG1 4.4Å; V27-V333 HydrophobicContact CG2-CB 4.03Å; V27-V333 HydrophobicContact CG2-CG1 3.9Å; W28-V333 PolarHBondContact N-O 3.28Å; M322-V333 HydrophobicContact CE-CG1 3.72Å; Y331-V333 HydrophobicContact CD1-CG2 4.07Å; Y331-V333 HydrophobicContact CE1-CG2 3.39Å; Y331-V333 HydrophobicContact CE2-CG2 4.39Å; V333-F351 HydrophobicContact CG1-CE2 4.2Å; V333-F351 HydrophobicContact CG1-CZ 3.65Å; V333-V355 HydrophobicContact CB-CG1 3.94Å; V333-V355 HydrophobicContact CB-CG2 4.38Å; V333-V355 HydrophobicContact CG1-CG1 4.17Å; V333-V355 HydrophobicContact CG1-CG2 3.68Å; V333-V355 HydrophobicContact CG2-CG1 3.65Å; V333-V355 HydrophobicContact CG2-CG2 4.46Å |
| 334 | N | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 172.7 | 172 | -156.9 | -39.7 | 0 | 0 | 0 | 108.7 | W28 I29 M30 Q300 G301 N302 L303 I332 | W28-N334 VanDerWaalsContact CD2-ND2 3.26Å; W28-N334 VanDerWaalsContact CZ2-ND2 3.29Å; W28-N334 WeakPolarHBondContact CZ2-ND2 3.36Å; W28-N334 PolarHBondContact NE1-ND2 3.49Å; W28-N334 WeakPolarHBondContact O-CA 3.39Å; W28-N334 PolarHBondContact O-ND2 3.36Å; W28-N334 PolarHBondContact O-OD1 3.04Å; I29-N334 WeakPolarHBondContact CA-OD1 3.28Å; M30-N334 PolarHBondContact N-OD1 2.85Å; Q300-N334 HydrophobicContact CG-CB 3.82Å; G301-N334 CarbonylContact C-O 3.4Å; G301-N334 WeakPolarHBondContact CA-O 3.4Å; G301-N334 PolarHBondContact O-N 2.95Å; N302-N334 PolarHBondContact N-O 2.79Å; L303-N334 PolarHBondContact N-O 2.77Å; I332-N334 PolarHBondContact O-N 2.91Å |
| 335 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 161 | 160.8 | -55 | -175.8 | 0 | 0 | 0 | 110 | I29 M30 L303 P305 L308 H337 I339 F351 | I29-L335 HydrophobicContact CG1-CG 4.48Å; I29-L335 HydrophobicContact CG2-CD1 3.63Å; I29-L335 HydrophobicContact CG2-CG 4.02Å; M30-L335 WeakPolarHBondContact CE-O 3.31Å; L303-L335 HydrophobicContact CB-CD2 4.09Å; L303-L335 HydrophobicContact CD2-CD2 4.13Å; L303-L335 HydrophobicContact CG-CD2 4.44Å; L303-L335 CarbonylContact O-C 3.55Å; L303-L335 VanDerWaalsContact O-CA 3.31Å; L303-L335 WeakPolarHBondContact O-CA 3.44Å; P305-L335 HydrophobicContact CB-CD1 4.23Å; P305-L335 HydrophobicContact CG-CB 4.28Å; P305-L335 HydrophobicContact CG-CD1 4.45Å; L308-L335 HydrophobicContact CD1-CD1 3.99Å; L308-L335 HydrophobicContact CD1-CD2 4.18Å; L335-H337 VanDerWaalsContact C-N 3.26Å; L335-H337 VanDerWaalsContact CB-O 3.24Å; L335-H337 WeakPolarHBondContact CB-O 3.37Å; L335-H337 PolarHBondContact O-N 3.42Å; L335-I339 HydrophobicContact CD1-CB 4.02Å; L335-F351 HydrophobicContact CD2-CE1 4.14Å; L335-F351 HydrophobicContact CD2-CZ 4.09Å |
| 336 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.3 | -14.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F259 L280 D281 L303 | F259-G336 WeakPolarHBondContact CZ-O 3.42Å; L280-G336 WeakPolarHBondContact O-CA 3.45Å; D281-G336 WeakPolarHBondContact CA-O 3.36Å; L303-G336 PolarHBondContact O-N 3.43Å |
| 337 | H | 98.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 17% | 0.167 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -156.3 | -174.2 | 170.6 | -160 | 16.9 | 0 | 0 | 0 | 111 | F259 K261 W282 P305 L335 | F259-H337 AromaticContact CE1-ND1 3.95Å; K261-H337 VanDerWaalsContact CE-CD2 3.41Å; K261-H337 WeakPolarHBondContact CE-CD2 3.5Å; W282-H337 HydrophobicContact CE3-CB 4.33Å; W282-H337 HydrophobicContact CZ3-CB 3.8Å; P305-H337 HydrophobicContact CG-CB 4.04Å; L335-H337 VanDerWaalsContact C-N 3.26Å; L335-H337 VanDerWaalsContact CB-O 3.24Å; L335-H337 WeakPolarHBondContact CB-O 3.37Å; L335-H337 PolarHBondContact O-N 3.42Å |
| 338 | G | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 138.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | M30 | M30-G338 VanDerWaalsContact O-CA 3.28Å; M30-G338 WeakPolarHBondContact O-CA 3.32Å |
| 339 | I | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -56.1 | 145.1 | 174.2 | -170.4 | 168 | 0 | 0 | 0 | 111.9 | I29 M30 R31 Y36 L308 L335 V343 V348 | I29-I339 HydrophobicContact CG2-CB 4.08Å; I29-I339 HydrophobicContact CG2-CG2 4.22Å; M30-I339 PolarHBondContact O-N 3.48Å; R31-I339 HydrophobicContact CB-CG2 4.02Å; R31-I339 VanDerWaalsContact O-CG2 3.24Å; R31-I339 WeakPolarHBondContact O-CG2 3.4Å; Y36-I339 HydrophobicContact CD1-CD1 4.02Å; Y36-I339 HydrophobicContact CD1-CG1 4.36Å; Y36-I339 HydrophobicContact CD1-CG2 3.62Å; Y36-I339 HydrophobicContact CD2-CD1 3.84Å; Y36-I339 HydrophobicContact CE1-CD1 4.15Å; Y36-I339 HydrophobicContact CE1-CG2 3.66Å; Y36-I339 HydrophobicContact CE2-CD1 3.97Å; Y36-I339 HydrophobicContact CG-CD1 3.88Å; Y36-I339 HydrophobicContact CG-CG1 4.4Å; Y36-I339 HydrophobicContact CG-CG2 4.46Å; L308-I339 HydrophobicContact CD1-CD1 4.07Å; L308-I339 HydrophobicContact CD1-CG1 4.45Å; L335-I339 HydrophobicContact CD1-CB 4.02Å; I339-V343 HydrophobicContact CD1-CB 4.01Å; I339-V343 HydrophobicContact CD1-CG1 3.84Å; I339-V343 HydrophobicContact CD1-CG2 4.5Å; I339-V343 HydrophobicContact CG1-CB 3.92Å; I339-V343 HydrophobicContact CG1-CG1 4.2Å; I339-V343 HydrophobicContact CG1-CG2 3.95Å; I339-V348 HydrophobicContact CD1-CG2 3.26Å |
| 340 | Y | 97.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 33.5 Ų | 33.5 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -88.3 | 153.7 | -178.5 | -61.4 | -41.3 | 0 | 0 | 0 | 113.3 | P305 C306 Y309 D342 V343 | P305-Y340 HydrophobicContact CB-CD2 4.24Å; P305-Y340 HydrophobicContact CB-CE2 3.95Å; C306-Y340 VanDerWaalsContact SG-CE2 3.59Å; Y309-Y340 HydrophobicContact CE2-CD2 4.1Å; Y309-Y340 VanDerWaalsContact OH-CB 3.25Å; Y309-Y340 WeakPolarHBondContact OH-CB 3.37Å; Y309-Y340 WeakPolarHBondContact OH-CD2 3.39Å; Y340-D342 PolarHBondContact O-N 2.93Å; Y340-V343 PolarHBondContact O-N 3.4Å |
| 341 | P | 96.2 | Very high | 98 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 31% | 0.312 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21 | -171.1 | -26.4 | 38 | 0 | 0 | 0 | 116.8 | R35 Y36 | R35-P341 CarbonylContact C-O 3.39Å; R35-P341 HydrophobicContact CB-CB 3.74Å; R35-P341 HydrophobicContact CB-CG 4.28Å; Y36-P341 VanDerWaalsContact CA-O 3.29Å; Y36-P341 WeakPolarHBondContact CA-O 3.32Å |
| 342 | D | 97.1 | Very high | 98 | Very high | 111 Ų | 111 | 30 Ų | 30 | 59% | 0.594 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109 | 6.4 | -172.8 | 61.7 | -34 | 0 | 0 | 0 | 112.8 | Y309 Y340 | Y309-D342 VanDerWaalsContact OH-CG 3.23Å; Y309-D342 PolarHBondContact OH-OD1 3.48Å; Y309-D342 PolarHBondContact OH-OD2 2.89Å; Y340-D342 PolarHBondContact O-N 2.93Å |
| 343 | V | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -68.1 | 137.2 | 169.5 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | Y36 L308 Y309 I339 Y340 P345 V348 | Y36-V343 WeakPolarHBondContact CB-O 3.18Å; L308-V343 HydrophobicContact CB-CG1 3.71Å; L308-V343 HydrophobicContact CB-CG2 4.49Å; L308-V343 HydrophobicContact CD1-CG1 3.99Å; Y309-V343 HydrophobicContact CD1-CG2 4.32Å; Y309-V343 HydrophobicContact CE1-CB 4.45Å; Y309-V343 HydrophobicContact CE1-CG2 3.68Å; Y309-V343 HydrophobicContact CE2-CG2 4.44Å; I339-V343 HydrophobicContact CD1-CB 4.01Å; I339-V343 HydrophobicContact CD1-CG1 3.84Å; I339-V343 HydrophobicContact CD1-CG2 4.5Å; I339-V343 HydrophobicContact CG1-CB 3.92Å; I339-V343 HydrophobicContact CG1-CG1 4.2Å; I339-V343 HydrophobicContact CG1-CG2 3.95Å; Y340-V343 PolarHBondContact O-N 3.4Å; V343-P345 WeakPolarHBondContact O-CD 3.37Å; V343-V348 HydrophobicContact CG1-CG2 4.2Å |
| 344 | D | 97.8 | Very high | 97.8 | Very high | 72 Ų | 72 | 34.7 Ų | 34.7 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | trans | -72.4 | 124 | 175.5 | 175.9 | 2.1 | 0 | 0 | 0 | 110.9 | D346 K347 V348 | D344-D346 PolarHBondContact O-N 2.91Å; D344-D346 VanDerWaalsContact O-N 3.13Å; D344-D346 PolarHBondContact OD1-N 3.46Å; D344-K347 HydrophobicContact CB-CG 3.85Å; D344-K347 WeakPolarHBondContact O-CB 3.35Å; D344-K347 PolarHBondContact O-N 2.89Å; D344-V348 PolarHBondContact O-N 3.45Å | ||
| 345 | P | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.2 | -30.3 | 174.7 | -28.6 | 36.4 | 0 | 0 | 0 | 114.9 | Y36 L37 F70 V343 K347 V348 N349 | Y36-P345 HydrophobicContact CD2-CB 4.44Å; Y36-P345 HydrophobicContact CD2-CG 4.08Å; Y36-P345 WeakPolarHBondContact O-CG 3.45Å; L37-P345 HydrophobicContact CD2-CB 4.42Å; L37-P345 HydrophobicContact CD2-CG 4.36Å; F70-P345 WeakPolarHBondContact CE1-O 3.28Å; F70-P345 HydrophobicContact CZ-CB 4.18Å; V343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-K347 VanDerWaalsContact C-N 3.27Å; P345-K347 PolarHBondContact O-N 3.15Å; P345-V348 WeakPolarHBondContact O-CB 3.32Å; P345-V348 PolarHBondContact O-N 3.19Å; P345-V348 VanDerWaalsContact O-N 3.13Å; P345-N349 PolarHBondContact O-N 3.3Å |
| 346 | D | 97.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 35.5 Ų | 35.5 | 60% | 0.604 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.6 | -30.9 | 179.5 | -68.6 | -12.4 | 0 | 0 | 0 | 111.4 | D344 V348 N349 K350 | D344-D346 PolarHBondContact O-N 2.91Å; D344-D346 VanDerWaalsContact O-N 3.13Å; D344-D346 PolarHBondContact OD1-N 3.46Å; D346-V348 VanDerWaalsContact C-N 3.3Å; D346-V348 PolarHBondContact O-N 3.09Å; D346-N349 PolarHBondContact O-N 3.33Å; D346-K350 WeakPolarHBondContact O-CB 3.42Å; D346-K350 PolarHBondContact O-N 3.39Å |
| 347 | K | 98 | Very high | 97.6 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -32.8 | 173 | -56.2 | -66.2 | -179.3 | -176.5 | 0 | 111.8 | L308 S310 I315 D344 P345 F351 | L308-K347 HydrophobicContact CB-CB 4.43Å; L308-K347 WeakPolarHBondContact O-CB 3.45Å; L308-K347 WeakPolarHBondContact O-CG 3.36Å; S310-K347 PolarHBondContact O-NZ 3.2Å; I315-K347 HydrophobicContact CD1-CB 4.15Å; I315-K347 HydrophobicContact CD1-CD 3.7Å; I315-K347 HydrophobicContact CD1-CG 4.41Å; D344-K347 HydrophobicContact CB-CG 3.85Å; D344-K347 WeakPolarHBondContact O-CB 3.35Å; D344-K347 PolarHBondContact O-N 2.89Å; P345-K347 VanDerWaalsContact C-N 3.27Å; P345-K347 PolarHBondContact O-N 3.15Å; K347-F351 WeakPolarHBondContact O-CB 3.32Å; K347-F351 PolarHBondContact O-N 3.45Å |
| 348 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -46.6 | 173.3 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | I29 Y36 F70 L308 I339 V343 D344 P345 D346 K350 F351 V352 | I29-V348 HydrophobicContact CD1-CG1 3.45Å; I29-V348 VanDerWaalsContact CD1-CG1 3.45Å; Y36-V348 HydrophobicContact CD2-CG2 4.11Å; Y36-V348 HydrophobicContact CE2-CB 4.29Å; Y36-V348 HydrophobicContact CE2-CG1 4.43Å; Y36-V348 HydrophobicContact CE2-CG2 3.72Å; F70-V348 HydrophobicContact CD1-CG1 4.21Å; F70-V348 HydrophobicContact CD2-CG1 4.03Å; F70-V348 HydrophobicContact CE1-CB 4.09Å; F70-V348 HydrophobicContact CE1-CG1 4.02Å; F70-V348 HydrophobicContact CE2-CB 4.47Å; F70-V348 HydrophobicContact CE2-CG1 3.85Å; F70-V348 HydrophobicContact CG-CG1 4.21Å; F70-V348 HydrophobicContact CZ-CB 3.98Å; F70-V348 HydrophobicContact CZ-CG1 3.83Å; L308-V348 HydrophobicContact CD1-CG2 4.25Å; I339-V348 HydrophobicContact CD1-CG2 3.26Å; V343-V348 HydrophobicContact CG1-CG2 4.2Å; D344-V348 PolarHBondContact O-N 3.45Å; P345-V348 WeakPolarHBondContact O-CB 3.32Å; P345-V348 PolarHBondContact O-N 3.19Å; P345-V348 VanDerWaalsContact O-N 3.13Å; D346-V348 VanDerWaalsContact C-N 3.3Å; D346-V348 PolarHBondContact O-N 3.09Å; V348-K350 VanDerWaalsContact C-N 3.3Å; V348-K350 PolarHBondContact O-N 3.46Å; V348-F351 WeakPolarHBondContact O-CB 3.21Å; V348-F351 PolarHBondContact O-N 2.94Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.37Å |
| 349 | N | 97.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 176 | -169.8 | 70.6 | 0 | 0 | 0 | 111 | F70 P345 D346 F351 V352 D353 | F70-N349 HydrophobicContact CD1-CB 3.82Å; F70-N349 HydrophobicContact CE1-CB 3.92Å; P345-N349 PolarHBondContact O-N 3.3Å; D346-N349 PolarHBondContact O-N 3.33Å; N349-F351 VanDerWaalsContact C-N 3.33Å; N349-F351 PolarHBondContact O-N 2.91Å; N349-V352 PolarHBondContact O-N 3.18Å; N349-D353 PolarHBondContact ND2-OD2 3.3Å; N349-D353 WeakPolarHBondContact O-CB 3.41Å; N349-D353 PolarHBondContact O-N 2.98Å |
| 350 | K | 96.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -42.6 | 177.3 | -175.7 | 61.9 | 172.6 | -163.1 | 0 | 113 | E312 D346 V348 L354 | E312-K350 HydrophobicContact CG-CG 4.37Å; E312-K350 IonicContact OE2-NZ 3.19Å; D346-K350 WeakPolarHBondContact O-CB 3.42Å; D346-K350 PolarHBondContact O-N 3.39Å; V348-K350 VanDerWaalsContact C-N 3.3Å; V348-K350 PolarHBondContact O-N 3.46Å; K350-L354 WeakPolarHBondContact O-CB 3.42Å; K350-L354 PolarHBondContact O-N 3.01Å |
| 351 | F | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 176.9 | 167.8 | -109 | 0 | 0 | 0 | 111.6 | V27 I29 L303 L308 V319 M322 V333 L335 K347 V348 N349 L354 V355 | V27-F351 HydrophobicContact CG2-CD1 4.4Å; V27-F351 HydrophobicContact CG2-CE1 3.63Å; V27-F351 HydrophobicContact CG2-CZ 4.11Å; I29-F351 HydrophobicContact CD1-CD1 3.91Å; I29-F351 HydrophobicContact CD1-CE1 4.09Å; I29-F351 HydrophobicContact CG1-CD1 4.4Å; I29-F351 HydrophobicContact CG1-CE1 4.06Å; L303-F351 HydrophobicContact CB-CE2 4.45Å; L303-F351 HydrophobicContact CD2-CD2 3.74Å; L303-F351 HydrophobicContact CD2-CE2 3.57Å; L303-F351 HydrophobicContact CD2-CZ 4.42Å; L308-F351 HydrophobicContact CD2-CB 3.93Å; L308-F351 HydrophobicContact CD2-CG 4.24Å; V319-F351 HydrophobicContact CG2-CD2 3.53Å; V319-F351 HydrophobicContact CG2-CE2 3.86Å; M322-F351 HydrophobicContact CE-CE2 4.19Å; V333-F351 HydrophobicContact CG1-CE2 4.2Å; V333-F351 HydrophobicContact CG1-CZ 3.65Å; L335-F351 HydrophobicContact CD2-CE1 4.14Å; L335-F351 HydrophobicContact CD2-CZ 4.09Å; K347-F351 WeakPolarHBondContact O-CB 3.32Å; K347-F351 PolarHBondContact O-N 3.45Å; V348-F351 WeakPolarHBondContact O-CB 3.21Å; V348-F351 PolarHBondContact O-N 2.94Å; N349-F351 VanDerWaalsContact C-N 3.33Å; N349-F351 PolarHBondContact O-N 2.91Å; F351-L354 PolarHBondContact O-N 2.93Å; F351-V355 HydrophobicContact CD2-CG2 4.35Å; F351-V355 HydrophobicContact CE2-CG2 4.02Å; F351-V355 HydrophobicContact CZ-CG2 4.28Å; F351-V355 VanDerWaalsContact O-CG2 3.29Å; F351-V355 WeakPolarHBondContact O-CG2 3.4Å; F351-V355 PolarHBondContact O-N 3.21Å; F351-V355 VanDerWaalsContact O-N 3.14Å |
| 352 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V27 I29 F70 D71 L72 V348 N349 L354 V355 H356 | V27-V352 HydrophobicContact CG1-CB 4.38Å; V27-V352 HydrophobicContact CG1-CG1 3.88Å; V27-V352 HydrophobicContact CG1-CG2 4.31Å; I29-V352 HydrophobicContact CD1-CG2 4.43Å; F70-V352 HydrophobicContact CB-CG2 4.45Å; D71-V352 HydrophobicContact CB-CG1 4.41Å; D71-V352 WeakPolarHBondContact O-CG1 3.5Å; L72-V352 HydrophobicContact CD2-CG2 3.72Å; L72-V352 HydrophobicContact CG-CG2 4.47Å; V348-V352 WeakPolarHBondContact O-CG2 3.32Å; V348-V352 PolarHBondContact O-N 3.37Å; N349-V352 PolarHBondContact O-N 3.18Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.26Å; V352-V355 PolarHBondContact O-N 2.99Å; V352-H356 PolarHBondContact O-N 2.67Å |
| 353 | D | 97.5 | Very high | 95.2 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 40% | 0.401 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.5 | -41.5 | -179.1 | -72.4 | -16.2 | 0 | 0 | 0 | 111.8 | N349 H356 H357 | N349-D353 PolarHBondContact ND2-OD2 3.3Å; N349-D353 WeakPolarHBondContact O-CB 3.41Å; N349-D353 PolarHBondContact O-N 2.98Å; D353-H356 PolarHBondContact O-N 3.27Å; D353-H357 WeakPolarHBondContact O-CB 3.38Å; D353-H357 PolarHBondContact O-N 2.83Å |
| 354 | L | 97.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | -178.8 | -178.8 | 68 | 0 | 0 | 0 | 112.5 | V319 K350 F351 V352 H356 H357 L358 | V319-L354 HydrophobicContact CB-CD2 3.55Å; V319-L354 HydrophobicContact CB-CG 4.37Å; V319-L354 HydrophobicContact CG1-CD2 3.75Å; V319-L354 HydrophobicContact CG1-CG 4.03Å; V319-L354 HydrophobicContact CG2-CD2 4.01Å; K350-L354 WeakPolarHBondContact O-CB 3.42Å; K350-L354 PolarHBondContact O-N 3.01Å; F351-L354 PolarHBondContact O-N 2.93Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 3.26Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 3.3Å; L354-H357 PolarHBondContact O-N 3.49Å; L354-L358 HydrophobicContact CD1-CD1 3.76Å; L354-L358 HydrophobicContact CD1-CD2 4.35Å; L354-L358 HydrophobicContact CD1-CG 3.77Å; L354-L358 HydrophobicContact CD2-CD1 4.22Å; L354-L358 HydrophobicContact CG-CD1 3.68Å; L354-L358 HydrophobicContact CG-CG 4.09Å; L354-L358 WeakPolarHBondContact O-CB 3.5Å; L354-L358 VanDerWaalsContact O-CG 3.32Å; L354-L358 WeakPolarHBondContact O-CG 3.37Å; L354-L358 PolarHBondContact O-N 3.23Å |
| 355 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 176.8 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | L25 V27 V319 I323 V333 F351 V352 S359 | L25-V355 HydrophobicContact CB-CG1 4.2Å; V27-V355 HydrophobicContact CB-CB 4.44Å; V27-V355 HydrophobicContact CB-CG1 3.98Å; V27-V355 HydrophobicContact CG1-CB 4.48Å; V27-V355 HydrophobicContact CG1-CG1 4.29Å; V27-V355 HydrophobicContact CG2-CG2 4.49Å; V319-V355 HydrophobicContact CG1-CG2 3.79Å; I323-V355 HydrophobicContact CD1-CG2 4.39Å; V333-V355 HydrophobicContact CB-CG1 3.94Å; V333-V355 HydrophobicContact CB-CG2 4.38Å; V333-V355 HydrophobicContact CG1-CG1 4.17Å; V333-V355 HydrophobicContact CG1-CG2 3.68Å; V333-V355 HydrophobicContact CG2-CG1 3.65Å; V333-V355 HydrophobicContact CG2-CG2 4.46Å; F351-V355 HydrophobicContact CD2-CG2 4.35Å; F351-V355 HydrophobicContact CE2-CG2 4.02Å; F351-V355 HydrophobicContact CZ-CG2 4.28Å; F351-V355 VanDerWaalsContact O-CG2 3.29Å; F351-V355 WeakPolarHBondContact O-CG2 3.4Å; F351-V355 PolarHBondContact O-N 3.21Å; F351-V355 VanDerWaalsContact O-N 3.14Å; V352-V355 PolarHBondContact O-N 2.99Å; V355-S359 VanDerWaalsContact O-CB 3.28Å; V355-S359 WeakPolarHBondContact O-CB 2.92Å; V355-S359 PolarHBondContact O-N 3.41Å; V355-S359 PolarHBondContact O-OG 2.72Å |
| 356 | H | 97.5 | Very high | 93.7 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 177.6 | -67.5 | 173 | 0 | 0 | 0 | 112.1 | R24 D71 D73 V352 D353 L354 S359 S360 | R24-H356 PolarHBondContact NE-NE2 3.2Å; R24-H356 PolarHBondContact NH1-CE1 3.1Å; R24-H356 VanDerWaalsContact NH1-CE1 3.29Å; R24-H356 PolarHBondContact NH1-ND1 3.45Å; R24-H356 VanDerWaalsContact NH1-ND1 3.14Å; R24-H356 PolarHBondContact NH2-CE1 3.22Å; R24-H356 VanDerWaalsContact NH2-CE1 3.29Å; D71-H356 PolarHBondContact O-CE1 3.15Å; D71-H356 IonicContact OD2-CE1 3.71Å; D71-H356 PolarHBondContact OD2-CE1 3.49Å; D71-H356 IonicContact OD2-ND1 2.89Å; D71-H356 PolarHBondContact OD2-ND1 3.49Å; D73-H356 IonicContact OD1-NE2 3.27Å; D73-H356 IonicContact OD2-CD2 3.46Å; D73-H356 IonicContact OD2-CE1 3.93Å; D73-H356 IonicContact OD2-NE2 3.64Å; D73-H356 PolarHBondContact OD2-NE2 3.38Å; V352-H356 PolarHBondContact O-N 2.67Å; D353-H356 PolarHBondContact O-N 3.27Å; L354-H356 VanDerWaalsContact C-N 3.31Å; L354-H356 PolarHBondContact O-N 3.3Å; H356-S359 PolarHBondContact O-OG 2.79Å; H356-S360 WeakPolarHBondContact O-CB 3.39Å; H356-S360 PolarHBondContact O-N 2.88Å; H356-S360 PolarHBondContact O-OG 3.14Å |
| 357 | H | 95.8 | Very high | 93.5 | Very high | 123 Ų | 123 | 48.9 Ų | 48.9 | 57% | 0.569 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.8 | -51.6 | 179.9 | -176.3 | 66.2 | 0 | 0 | 0 | 111.9 | D353 L354 S359 S360 T361 | D353-H357 WeakPolarHBondContact O-CB 3.38Å; D353-H357 PolarHBondContact O-N 2.83Å; L354-H357 PolarHBondContact O-N 3.49Å; H357-S359 PolarHBondContact O-N 3.02Å; H357-S360 PolarHBondContact O-N 2.94Å; H357-S360 PolarHBondContact O-OG 2.79Å; H357-T361 PolarHBondContact O-N 3.48Å; H357-T361 PolarHBondContact O-OG1 3.44Å; H357-T361 VanDerWaalsContact O-OG1 3.14Å |
| 358 | L | 95.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | -178.9 | -70.2 | 174.7 | 0 | 0 | 0 | 112.1 | V319 K320 I323 L354 T361 M362 | V319-L358 HydrophobicContact CG1-CD1 4.14Å; K320-L358 HydrophobicContact CB-CD1 3.87Å; K320-L358 HydrophobicContact CG-CD1 4.41Å; I323-L358 HydrophobicContact CD1-CB 4.04Å; I323-L358 HydrophobicContact CD1-CD1 4.06Å; L354-L358 HydrophobicContact CD1-CD1 3.76Å; L354-L358 HydrophobicContact CD1-CD2 4.35Å; L354-L358 HydrophobicContact CD1-CG 3.77Å; L354-L358 HydrophobicContact CD2-CD1 4.22Å; L354-L358 HydrophobicContact CG-CD1 3.68Å; L354-L358 HydrophobicContact CG-CG 4.09Å; L354-L358 WeakPolarHBondContact O-CB 3.5Å; L354-L358 VanDerWaalsContact O-CG 3.32Å; L354-L358 WeakPolarHBondContact O-CG 3.37Å; L354-L358 PolarHBondContact O-N 3.23Å; L358-T361 PolarHBondContact O-N 3.33Å; L358-M362 WeakPolarHBondContact O-CG 3.39Å; L358-M362 PolarHBondContact O-N 3.2Å; L358-M362 VanDerWaalsContact O-N 3.15Å |
| 359 | S | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | -178.6 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | L25 V355 H356 H357 T361 M362 L363 | L25-S359 PolarHBondContact N-OG 3.03Å; V355-S359 VanDerWaalsContact O-CB 3.28Å; V355-S359 WeakPolarHBondContact O-CB 2.92Å; V355-S359 PolarHBondContact O-N 3.41Å; V355-S359 PolarHBondContact O-OG 2.72Å; H356-S359 PolarHBondContact O-OG 2.79Å; H357-S359 PolarHBondContact O-N 3.02Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.99Å; S359-M362 PolarHBondContact O-N 2.97Å; S359-L363 WeakPolarHBondContact O-CD1 3.47Å; S359-L363 WeakPolarHBondContact O-CG 3.49Å; S359-L363 PolarHBondContact O-N 2.98Å; S359-L363 VanDerWaalsContact O-N 3.1Å |
| 360 | S | 88 | Confident | 92.7 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | H356 H357 N364 | H356-S360 WeakPolarHBondContact O-CB 3.39Å; H356-S360 PolarHBondContact O-N 2.88Å; H356-S360 PolarHBondContact O-OG 3.14Å; H357-S360 PolarHBondContact O-N 2.94Å; H357-S360 PolarHBondContact O-OG 2.79Å; S360-N364 PolarHBondContact O-N 3.09Å; S360-N364 PolarHBondContact O-ND2 3.41Å; S360-N364 VanDerWaalsContact O-ND2 3.09Å |
| 361 | T | 88.1 | Confident | 92.4 | Very high | 84 Ų | 84 | 51.4 Ų | 51.4 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.9 | -29.5 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | H357 L358 S359 | H357-T361 PolarHBondContact O-N 3.48Å; H357-T361 PolarHBondContact O-OG1 3.44Å; H357-T361 VanDerWaalsContact O-OG1 3.14Å; L358-T361 PolarHBondContact O-N 3.33Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.99Å |
| 362 | M | 88.3 | Confident | 91.9 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -82.8 | -18.1 | 178.2 | -68.2 | 177.4 | 77.8 | 0 | 0 | 113.7 | I323 I328 L358 S359 | I323-M362 HydrophobicContact CG2-CE 4.38Å; I323-M362 HydrophobicContact CG2-SD 3.6Å; I328-M362 WeakPolarHBondContact CD1-O 3.37Å; I328-M362 HydrophobicContact CG2-CB 3.82Å; I328-M362 HydrophobicContact CG2-CE 4.12Å; I328-M362 HydrophobicContact CG2-SD 4.17Å; L358-M362 WeakPolarHBondContact O-CG 3.39Å; L358-M362 PolarHBondContact O-N 3.2Å; L358-M362 VanDerWaalsContact O-N 3.15Å; S359-M362 PolarHBondContact O-N 2.97Å |
| 363 | L | 83 | Confident | 91.4 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -88.7 | -21.5 | 177.9 | -76.7 | 164.1 | 0 | 0 | 0 | 113.3 | S23 I328 S359 | S23-L363 WeakPolarHBondContact O-CD1 3.42Å; I328-L363 HydrophobicContact CD1-CD2 3.64Å; I328-L363 HydrophobicContact CD1-CG 4.08Å; I328-L363 HydrophobicContact CG1-CD2 4.32Å; S359-L363 WeakPolarHBondContact O-CD1 3.47Å; S359-L363 WeakPolarHBondContact O-CG 3.49Å; S359-L363 PolarHBondContact O-N 2.98Å; S359-L363 VanDerWaalsContact O-N 3.1Å |
| 364 | N | 74.8 | Confident | 90.8 | Very high | 188 Ų | 188 | 58.6 Ų | 58.6 | 100% | 1.005 | 31% | 0.313 | S | S | * | . | trans | -88.1 | 0 | 172.2 | -66.3 | -37.4 | 0 | 0 | 0 | 110.5 | S360 | S360-N364 PolarHBondContact O-N 3.09Å; S360-N364 PolarHBondContact O-ND2 3.41Å; S360-N364 VanDerWaalsContact O-ND2 3.09Å |
Retrieved 364 of 364 residues in 240.8 ms
(Link to these results)